 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer05_STD_M11_augccpVDZ.in
 Output=21_phenylethanol_conformer05_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-95445.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     95447.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer05_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:02:30 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer05_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.206683000000      0.991247000000     -0.693458000000
  C                                                -1.642229000000     -0.263628000000     -0.312054000000
  H                                                -3.164880000000      0.922730000000     -0.631250000000
  H                                                -1.839152000000     -1.004057000000     -1.098273000000
  C                                                -2.254977000000     -0.761668000000      0.996255000000
  C                                                -0.146221000000     -0.098970000000     -0.189451000000
  H                                                -1.821288000000     -1.719640000000      1.286063000000
  H                                                -3.335121000000     -0.898007000000      0.890460000000
  H                                                -2.067076000000     -0.041194000000      1.793736000000
  C                                                 0.419918000000      1.122300000000      0.166451000000
  C                                                 1.795424000000      1.237450000000      0.329195000000
  C                                                 2.619920000000      0.134599000000      0.141627000000
  C                                                 2.060837000000     -1.086536000000     -0.217112000000
  C                                                 0.686656000000     -1.198736000000     -0.383700000000
  H                                                -0.222613000000      1.980785000000      0.301021000000
  H                                                 2.224694000000      2.193556000000      0.600973000000
  H                                                 3.691054000000      0.226969000000      0.266922000000
  H                                                 2.695233000000     -1.949451000000     -0.374819000000
  H                                                 0.256637000000     -2.150534000000     -0.674443000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.427862   0.000000
     3  H    0.962656   1.956476   0.000000
     4  H    2.068863   1.097795   2.384989   0.000000
     5  C    2.435195   1.528128   2.512746   2.149119   0.000000
     6  C    2.384974   1.510028   3.217353   2.123948   2.508370
     7  H    3.378748   2.169334   3.530361   2.489465   1.090773
     8  H    2.711356   2.171258   2.379005   2.490829   1.093843
     9  H    2.696583   2.159704   2.831056   3.056595   1.091039
    10  C    2.766885   2.530260   3.677898   3.350271   3.375348
    11  C    4.138030   3.805508   5.062225   4.502462   4.565872
    12  C    4.972656   4.304686   5.889177   4.766258   5.029742
    13  C    4.770306   3.794587   5.613981   3.999145   4.494891
    14  C    3.641893   2.510630   4.404115   2.632151   3.278492
    15  H    2.429960   2.725539   3.262751   3.671581   3.483519
    16  H    4.770556   4.671666   5.672819   5.443070   5.381175
    17  H    6.024098   5.387003   6.949434   5.827723   6.071624
    18  H    5.725209   4.653978   6.531164   4.688049   5.272120
    19  H    3.992380   2.701376   4.599304   2.426185   3.320901
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.758544   0.000000
     8  H    3.460311   1.767278   0.000000
     9  H    2.761531   1.770685   1.777069   0.000000
    10  C    1.392365   3.788556   4.325060   3.191695   0.000000
    11  C    2.413503   4.768709   5.585489   4.324201   1.389878
    12  C    2.795658   4.946945   6.090118   4.972756   2.411675
    13  C    2.418089   4.210849   5.511680   4.709131   2.778253
    14  C    1.393163   3.057651   4.229493   3.696508   2.400213
    15  H    2.138172   4.149604   4.280489   3.117473   1.080718
    16  H    3.391413   5.670311   6.368132   4.983581   2.143272
    17  H    3.878040   5.934126   7.142934   5.963148   3.392940
    18  H    3.395954   4.817707   6.250731   5.569889   3.860788
    19  H    2.146259   2.889122   4.113207   3.992601   3.383076
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389696   0.000000
    13  C    2.402042   1.390122   0.000000
    14  C    2.769944   2.406504   1.388781   0.000000
    15  H    2.150771   3.393200   3.858894   3.377124   0.000000
    16  H    1.082716   2.146277   3.384541   3.852634   2.474784
    17  H    2.149038   1.082386   2.148765   3.388562   4.288802
    18  H    3.385503   2.148407   1.082567   2.144303   4.941390
    19  H    3.854036   3.387168   2.143917   1.084144   4.271886
                   16         17         18         19
    16  H    0.000000
    17  H    2.475735   0.000000
    18  H    4.282299   2.477962   0.000000
    19  H    4.936705   4.281811   2.465149   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4754003           1.1392966           0.9690623
 Leave Link  202 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.8905530360 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:02:32 2021, MaxMem=  5368709120 cpu:              10.9 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.76D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer05_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.890983314999    
 DIIS: error= 3.73D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.890983314999     IErMin= 1 ErrMin= 3.73D-03
 ErrMax= 3.73D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-02 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.73D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.404 Goal=   None    Shift=    0.000
 GapD=    0.404 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=7.81D-02 MaxDP=4.28D+00              OVMax= 1.93D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.98D-02    CP:  1.99D+00
 E= -385.901239714454     Delta-E=       -0.010256399455 Rises=F Damp=F
 DIIS: error= 5.65D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.901239714454     IErMin= 2 ErrMin= 5.65D-04
 ErrMax= 5.65D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.57D-04 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.65D-03
 Coeff-Com: -0.337D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.335D-01 0.103D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=1.59D-02 MaxDP=9.25D-01 DE=-1.03D-02 OVMax= 6.63D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.70D-03    CP:  2.19D+00  1.20D+00
 E= -385.901518587169     Delta-E=       -0.000278872715 Rises=F Damp=F
 DIIS: error= 5.05D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.901518587169     IErMin= 3 ErrMin= 5.05D-04
 ErrMax= 5.05D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-04 BMatP= 3.57D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.05D-03
 Coeff-Com: -0.470D-01 0.492D+00 0.555D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.468D-01 0.490D+00 0.557D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=1.58D-03 MaxDP=9.12D-02 DE=-2.79D-04 OVMax= 3.38D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.19D-04    CP:  2.21D+00  1.22D+00  1.11D+00
 E= -385.901704825181     Delta-E=       -0.000186238012 Rises=F Damp=F
 DIIS: error= 7.93D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.901704825181     IErMin= 4 ErrMin= 7.93D-05
 ErrMax= 7.93D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.60D-06 BMatP= 2.68D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.190D-02-0.458D-01 0.758D-01 0.972D+00
 Coeff:     -0.190D-02-0.458D-01 0.758D-01 0.972D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=5.60D-04 MaxDP=3.25D-02 DE=-1.86D-04 OVMax= 9.08D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.42D-04    CP:  2.22D+00  1.23D+00  1.18D+00  1.46D+00
 E= -385.901713421537     Delta-E=       -0.000008596356 Rises=F Damp=F
 DIIS: error= 3.91D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.901713421537     IErMin= 5 ErrMin= 3.91D-05
 ErrMax= 3.91D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.09D-07 BMatP= 6.60D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.291D-02-0.509D-01-0.227D-01 0.294D+00 0.777D+00
 Coeff:      0.291D-02-0.509D-01-0.227D-01 0.294D+00 0.777D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=7.48D-05 MaxDP=3.49D-03 DE=-8.60D-06 OVMax= 3.03D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.39D-05    CP:  2.22D+00  1.22D+00  1.19D+00  1.51D+00  1.29D+00
 E= -385.901714466536     Delta-E=       -0.000001044999 Rises=F Damp=F
 DIIS: error= 9.52D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.901714466536     IErMin= 6 ErrMin= 9.52D-06
 ErrMax= 9.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.09D-08 BMatP= 8.09D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.803D-03-0.607D-02-0.131D-01-0.282D-01 0.166D+00 0.880D+00
 Coeff:      0.803D-03-0.607D-02-0.131D-01-0.282D-01 0.166D+00 0.880D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=2.70D-05 MaxDP=1.87D-03 DE=-1.04D-06 OVMax= 1.11D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.88D-06    CP:  2.22D+00  1.22D+00  1.19D+00  1.54D+00  1.34D+00
                    CP:  9.34D-01
 E= -385.901714572470     Delta-E=       -0.000000105933 Rises=F Damp=F
 DIIS: error= 2.93D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.901714572470     IErMin= 7 ErrMin= 2.93D-06
 ErrMax= 2.93D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.99D-09 BMatP= 6.09D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.449D-04 0.328D-02-0.154D-02-0.374D-01-0.329D-01 0.241D+00
 Coeff-Com:  0.827D+00
 Coeff:     -0.449D-04 0.328D-02-0.154D-02-0.374D-01-0.329D-01 0.241D+00
 Coeff:      0.827D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=1.12D-05 MaxDP=8.19D-04 DE=-1.06D-07 OVMax= 4.18D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.40D-06    CP:  2.22D+00  1.22D+00  1.19D+00  1.54D+00  1.35D+00
                    CP:  9.69D-01  1.14D+00
 E= -385.901714585431     Delta-E=       -0.000000012961 Rises=F Damp=F
 DIIS: error= 1.46D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.901714585431     IErMin= 8 ErrMin= 1.46D-06
 ErrMax= 1.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-09 BMatP= 7.99D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-03 0.196D-02 0.113D-02-0.106D-01-0.335D-01-0.261D-01
 Coeff-Com:  0.310D+00 0.757D+00
 Coeff:     -0.118D-03 0.196D-02 0.113D-02-0.106D-01-0.335D-01-0.261D-01
 Coeff:      0.310D+00 0.757D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=2.43D-06 MaxDP=1.68D-04 DE=-1.30D-08 OVMax= 1.36D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.28D-06    CP:  2.22D+00  1.22D+00  1.19D+00  1.54D+00  1.36D+00
                    CP:  9.71D-01  1.23D+00  1.11D+00
 E= -385.901714587486     Delta-E=       -0.000000002055 Rises=F Damp=F
 DIIS: error= 1.87D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.901714587486     IErMin= 9 ErrMin= 1.87D-07
 ErrMax= 1.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.76D-11 BMatP= 1.35D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.106D-04-0.290D-04 0.293D-03 0.189D-02-0.136D-02-0.267D-01
 Coeff-Com: -0.290D-01 0.108D+00 0.947D+00
 Coeff:     -0.106D-04-0.290D-04 0.293D-03 0.189D-02-0.136D-02-0.267D-01
 Coeff:     -0.290D-01 0.108D+00 0.947D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=2.12D-06 MaxDP=1.36D-04 DE=-2.05D-09 OVMax= 4.51D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.17D-07    CP:  2.22D+00  1.22D+00  1.19D+00  1.54D+00  1.36D+00
                    CP:  9.67D-01  1.27D+00  1.19D+00  1.07D+00
 E= -385.901714587597     Delta-E=       -0.000000000111 Rises=F Damp=F
 DIIS: error= 9.01D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.901714587597     IErMin=10 ErrMin= 9.01D-08
 ErrMax= 9.01D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.26D-12 BMatP= 5.76D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.724D-05-0.189D-03-0.913D-05 0.168D-02 0.280D-02-0.644D-02
 Coeff-Com: -0.384D-01-0.382D-01 0.311D+00 0.768D+00
 Coeff:      0.724D-05-0.189D-03-0.913D-05 0.168D-02 0.280D-02-0.644D-02
 Coeff:     -0.384D-01-0.382D-01 0.311D+00 0.768D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=5.95D-07 MaxDP=4.16D-05 DE=-1.11D-10 OVMax= 1.58D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.41D-07    CP:  2.22D+00  1.22D+00  1.19D+00  1.54D+00  1.36D+00
                    CP:  9.64D-01  1.28D+00  1.20D+00  1.12D+00  1.22D+00
 E= -385.901714587581     Delta-E=        0.000000000015 Rises=F Damp=F
 DIIS: error= 3.29D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -385.901714587597     IErMin=11 ErrMin= 3.29D-08
 ErrMax= 3.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.52D-13 BMatP= 9.26D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.215D-05-0.267D-04-0.324D-04 0.806D-04 0.493D-03 0.155D-02
 Coeff-Com: -0.246D-02-0.176D-01-0.443D-01 0.117D+00 0.945D+00
 Coeff:      0.215D-05-0.267D-04-0.324D-04 0.806D-04 0.493D-03 0.155D-02
 Coeff:     -0.246D-02-0.176D-01-0.443D-01 0.117D+00 0.945D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=9.92D-08 MaxDP=6.94D-06 DE= 1.53D-11 OVMax= 6.92D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.31D-08    CP:  2.22D+00  1.22D+00  1.19D+00  1.54D+00  1.36D+00
                    CP:  9.64D-01  1.28D+00  1.20D+00  1.13D+00  1.37D+00
                    CP:  1.29D+00
 E= -385.901714587584     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 1.43D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -385.901714587597     IErMin=12 ErrMin= 1.43D-08
 ErrMax= 1.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-13 BMatP= 6.52D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.258D-06 0.145D-04-0.968D-05-0.174D-03-0.183D-03 0.129D-02
 Coeff-Com:  0.381D-02-0.142D-02-0.500D-01-0.509D-01 0.292D+00 0.806D+00
 Coeff:     -0.258D-06 0.145D-04-0.968D-05-0.174D-03-0.183D-03 0.129D-02
 Coeff:      0.381D-02-0.142D-02-0.500D-01-0.509D-01 0.292D+00 0.806D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=4.54D-08 MaxDP=2.53D-06 DE=-2.16D-12 OVMax= 3.95D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.26D-08    CP:  2.22D+00  1.22D+00  1.19D+00  1.54D+00  1.36D+00
                    CP:  9.64D-01  1.28D+00  1.20D+00  1.13D+00  1.40D+00
                    CP:  1.46D+00  1.26D+00
 E= -385.901714587620     Delta-E=       -0.000000000036 Rises=F Damp=F
 DIIS: error= 9.57D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -385.901714587620     IErMin=13 ErrMin= 9.57D-09
 ErrMax= 9.57D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-14 BMatP= 1.31D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.429D-06 0.879D-05 0.292D-05-0.647D-04-0.136D-03 0.103D-03
 Coeff-Com:  0.154D-02 0.264D-02-0.705D-02-0.363D-01-0.899D-01 0.254D+00
 Coeff-Com:  0.875D+00
 Coeff:     -0.429D-06 0.879D-05 0.292D-05-0.647D-04-0.136D-03 0.103D-03
 Coeff:      0.154D-02 0.264D-02-0.705D-02-0.363D-01-0.899D-01 0.254D+00
 Coeff:      0.875D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=2.39D-08 MaxDP=1.53D-06 DE=-3.63D-11 OVMax= 1.96D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.55D-09    CP:  2.22D+00  1.22D+00  1.19D+00  1.54D+00  1.36D+00
                    CP:  9.64D-01  1.28D+00  1.20D+00  1.14D+00  1.42D+00
                    CP:  1.52D+00  1.44D+00  1.29D+00
 E= -385.901714587640     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 2.44D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -385.901714587640     IErMin=14 ErrMin= 2.44D-09
 ErrMax= 2.44D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-15 BMatP= 2.55D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.520D-08-0.153D-05 0.209D-05 0.219D-04 0.221D-04-0.210D-03
 Coeff-Com: -0.500D-03 0.531D-03 0.811D-02 0.591D-02-0.587D-01-0.113D+00
 Coeff-Com:  0.846D-01 0.107D+01
 Coeff:     -0.520D-08-0.153D-05 0.209D-05 0.219D-04 0.221D-04-0.210D-03
 Coeff:     -0.500D-03 0.531D-03 0.811D-02 0.591D-02-0.587D-01-0.113D+00
 Coeff:      0.846D-01 0.107D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=7.89D-09 MaxDP=3.59D-07 DE=-1.98D-11 OVMax= 9.73D-08

 SCF Done:  E(RM11) =  -385.901714588     A.U. after   14 cycles
            NFock= 14  Conv=0.79D-08     -V/T= 2.0065
 KE= 3.834173965430D+02 PE=-1.749136153774D+03 EE= 5.539264896076D+02
 Leave Link  502 at Thu Aug 12 21:05:36 2021, MaxMem=  5368709120 cpu:            1458.6 elap:             183.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.14395544D+03

 Leave Link  801 at Thu Aug 12 21:05:37 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.79D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 1.92D-01 6.97D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 2.90D-02 5.28D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 2.70D-03 1.27D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 1.80D-04 2.86D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 1.38D-05 5.76D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 5.16D-07 1.21D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 1.30D-08 2.07D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 3.01D-10 3.34D-06.
     11 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 6.09D-12 3.52D-07.
      7 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 1.38D-13 4.42D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.130062D+03
      2  0.119391D+01  0.105600D+03
      3  0.137496D+01  0.647155D+01  0.737316D+02
 Isotropic polarizability for W=    0.085645      103.13 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.856217D+02  0.101845D+02  0.225449D+01
      2  -0.338139D+02 -0.154862D+02 -0.162333D+02
      3  -0.518078D+02  0.530167D+01  0.139788D+02
      4  -0.203011D+02  0.771046D+02  0.322957D+02
      5   0.304620D+02  0.337034D+02 -0.540608D+01
      6   0.121774D+02  0.102550D+02 -0.171279D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.116669D+01  0.364966D+01  0.729067D+01
      2   0.611646D+01  0.132453D+02  0.646456D+00
      3  -0.680244D+01 -0.417336D+02 -0.125072D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.140771D+01  0.264883D+02  0.224295D+02
      2  -0.282075D+02  0.201183D+02  0.464017D+02
      3  -0.304856D+02 -0.110918D+03 -0.215260D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.720969D+00 -0.265643D+01 -0.112907D+01
      2  -0.265643D+01 -0.180736D+01  0.220719D+01
      3  -0.112907D+01  0.220719D+01  0.657790D+00
 OR G Eigenvalues:    -3.9011    -0.4292     3.9017  Iso=     0.1429
 Eigenvectors:
   (1)   0.415336   0.854848  -0.311016
   (2)   0.650870  -0.040409   0.758113
   (3)   0.635503  -0.517303  -0.573178
 w=    0.085645 a.u., Optical Rotation Beta=      0.1429 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       55.46 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 2.71D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.88D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 3.99D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 3.49D-02 4.11D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 2.05D-03 7.43D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 2.76D-05 7.93D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 4.54D-07 9.52D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 5.82D-09 7.07D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 6.75D-11 9.25D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 6.37D-13 9.09D-08.
     15 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 5.99D-15 7.83D-09.
      2 vectors produced by pass  9 Test12= 2.42D-14 2.78D-09 XBig12= 5.04D-16 3.67D-09.
      1 vectors produced by pass 10 Test12= 2.42D-14 2.78D-09 XBig12= 7.49D-17 2.98D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 7.96D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 7.96D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.02D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.130062D+03  0.119391D+01  0.137496D+01
      2   0.119391D+01  0.105600D+03  0.647155D+01
      3   0.137496D+01  0.647155D+01  0.737316D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.116669D+01  0.364966D+01  0.729067D+01
      2   0.611646D+01  0.132453D+02  0.646456D+00
      3  -0.680244D+01 -0.417336D+02 -0.125072D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.856217D+02  0.101845D+02  0.225449D+01
      2  -0.338139D+02 -0.154862D+02 -0.162333D+02
      3  -0.518078D+02  0.530167D+01  0.139788D+02
      4  -0.203011D+02  0.771046D+02  0.322957D+02
      5   0.304620D+02  0.337034D+02 -0.540608D+01
      6   0.121774D+02  0.102550D+02 -0.171279D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.701772D+01  0.671540D+00 -0.218502D+00  0.193150D+01 -0.219917D+01
      2   0.671540D+00  0.605603D+00  0.498785D+00 -0.219917D+01  0.330337D+01
      3  -0.218502D+00  0.498785D+00  0.428228D+00  0.121109D+01 -0.250307D+01
                 6             7             8             9            10 
      1   0.121109D+01 -0.143673D+00  0.923907D+00 -0.128424D+01  0.399216D+01
      2  -0.250307D+01  0.923907D+00 -0.661224D+00  0.128044D+01  0.132614D+01
      3   0.565689D+00 -0.128424D+01  0.128044D+01 -0.152558D+01 -0.100013D+01
                11            12            13            14            15 
      1   0.132614D+01 -0.100013D+01  0.421234D+01  0.377188D+01 -0.164384D+01
      2   0.113243D+01 -0.114168D+01  0.377188D+01  0.164931D+01  0.368782D+01
      3  -0.114168D+01  0.195381D+01 -0.164384D+01  0.368782D+01  0.431423D+01
                16            17            18            19            20 
      1  -0.483925D+01 -0.164868D+01  0.469253D+01 -0.111345D+02  0.186840D+01
      2  -0.164868D+01  0.178131D+01  0.401607D+01  0.186840D+01 -0.151877D+01
      3   0.469253D+01  0.401607D+01  0.310660D+00 -0.904333D+00  0.367357D+00
                21            22            23            24            25 
      1  -0.904333D+00  0.406461D+00 -0.828772D+00 -0.531144D-01  0.398728D+00
      2   0.367357D+00 -0.828772D+00  0.544497D+00  0.601458D-02 -0.126437D+00
      3  -0.119196D+01 -0.531144D-01  0.601458D-02  0.147767D+00 -0.754083D+00
                26            27            28            29            30 
      1  -0.126437D+00 -0.754083D+00 -0.830471D+00 -0.130229D+01 -0.124208D+01
      2   0.113828D+00  0.270903D+00 -0.130229D+01 -0.889263D+00 -0.445550D+00
      3   0.270903D+00 -0.373999D+00 -0.124208D+01 -0.445550D+00 -0.129007D+01
                31            32            33            34            35 
      1  -0.321621D+01 -0.178315D+01 -0.801395D+00 -0.187728D+01 -0.779599D+00
      2  -0.178315D+01 -0.407760D+01 -0.266509D+01 -0.779599D+00 -0.250941D+01
      3  -0.801395D+00 -0.266509D+01 -0.306250D+01 -0.201553D+01 -0.277083D+01
                36            37            38            39            40 
      1  -0.201553D+01  0.102237D+02  0.171002D+01  0.740438D+00 -0.930739D-01
      2  -0.277083D+01  0.171002D+01 -0.224570D+01  0.883381D+00 -0.263083D+01
      3  -0.461050D+01  0.740438D+00  0.883381D+00 -0.241083D+01  0.174655D+01
                41            42            43            44            45 
      1  -0.263083D+01  0.174655D+01  0.592195D+01  0.216529D+01 -0.379365D+01
      2   0.221096D+01 -0.292072D+01  0.216529D+01 -0.179795D+01 -0.335371D+01
      3  -0.292072D+01 -0.337906D+01 -0.379365D+01 -0.335371D+01  0.610433D-01
                46            47            48            49            50 
      1  -0.170175D+02 -0.265966D+01  0.182158D+00 -0.332116D+01  0.105585D+01
      2  -0.265966D+01 -0.294722D+01  0.499231D-01  0.105585D+01 -0.333689D-01
      3   0.182158D+00  0.499231D-01 -0.209610D+01  0.131016D+01 -0.334574D+00
                51            52            53            54            55 
      1   0.131016D+01 -0.667088D+00  0.121324D+01 -0.363476D+01  0.745888D-01
      2  -0.334574D+00  0.121324D+01 -0.436362D+00 -0.702328D+00 -0.117250D+01
      3  -0.293640D+00 -0.363476D+01 -0.702328D+00 -0.118410D+01  0.275638D+00
                56            57            58            59            60 
      1  -0.117250D+01  0.275638D+00 -0.182946D+01  0.649708D+00 -0.141677D+00
      2   0.152231D+01 -0.684963D+00  0.649708D+00 -0.613018D+01  0.236940D+01
      3  -0.684963D+00  0.101748D+01 -0.141677D+00  0.236940D+01 -0.186877D+01
                61            62            63            64            65 
      1   0.134600D+00 -0.348299D+00  0.396968D+00 -0.144740D+02 -0.226323D+01
      2  -0.348299D+00  0.170872D+01 -0.130699D+01 -0.226323D+01 -0.132428D+01
      3   0.396968D+00 -0.130699D+01  0.165423D+01  0.111612D+01  0.322921D+00
                66            67            68            69            70 
      1   0.111612D+01 -0.160977D+01 -0.152893D+01  0.127692D-01 -0.152341D+01
      2   0.322921D+00 -0.152893D+01 -0.101279D+01  0.447899D+00 -0.321821D+00
      3  -0.141591D+01  0.127692D-01  0.447899D+00  0.184001D-01 -0.100464D+01
                71            72            73            74            75 
      1  -0.321821D+00 -0.100464D+01 -0.437689D+00  0.479631D+00  0.580783D+00
      2  -0.132402D+00  0.825974D-01  0.479631D+00  0.496276D+00  0.989166D-02
      3   0.825974D-01 -0.117958D+00  0.580783D+00  0.989166D-02  0.100871D+01
                76            77            78            79            80 
      1   0.143609D+01  0.176362D+00 -0.633422D+00  0.924349D+00 -0.170733D+00
      2   0.176362D+00  0.209800D+01  0.203175D+01 -0.170733D+00  0.185111D+01
      3  -0.633422D+00  0.203175D+01  0.329913D+01 -0.210130D+00  0.178493D+01
                81            82            83            84            85 
      1  -0.210130D+00  0.345994D+01 -0.828830D+00  0.157989D+00  0.785159D+01
      2   0.178493D+01 -0.828830D+00 -0.326263D+01 -0.714527D+00  0.342135D+00
      3   0.508045D+01  0.157989D+00 -0.714527D+00 -0.219180D+01  0.216727D+00
                86            87            88            89            90 
      1   0.342135D+00  0.216727D+00  0.281133D+01 -0.191492D+00 -0.188999D+01
      2   0.176172D+01 -0.749350D+00 -0.191492D+00 -0.180529D+01  0.300435D+01
      3  -0.749350D+00  0.169289D+01 -0.188999D+01  0.300435D+01  0.117655D+01
                91            92            93            94            95 
      1  -0.338513D+01 -0.362658D+00 -0.265912D+00  0.487630D+01  0.165294D+00
      2  -0.362658D+00  0.280433D+01 -0.338881D+00  0.165294D+00  0.119796D+01
      3  -0.265912D+00 -0.338881D+00  0.889154D+00 -0.487057D+00 -0.122067D+01
                96            97            98            99           100 
      1  -0.487057D+00  0.540560D+00 -0.103281D+01  0.193371D+01  0.523132D+01
      2  -0.122067D+01 -0.103281D+01 -0.142821D+01  0.343105D+01  0.414525D+00
      3   0.216030D+01  0.193371D+01  0.343105D+01  0.296812D+01 -0.689774D+00
               101           102           103           104           105 
      1   0.414525D+00 -0.689774D+00  0.115128D+01 -0.248643D+00 -0.136736D+01
      2   0.331665D+01 -0.437831D-01 -0.248643D+00  0.386838D+00 -0.649250D+00
      3  -0.437831D-01  0.329764D+01 -0.136736D+01 -0.649250D+00 -0.696979D-01
               106           107           108           109           110 
      1  -0.716604D-01 -0.132510D+01  0.508239D+01 -0.242929D+01 -0.674045D+00
      2  -0.132510D+01  0.304550D+00  0.276827D+00 -0.674045D+00  0.238874D+01
      3   0.508239D+01  0.276827D+00  0.124287D+01 -0.521314D+00  0.893539D+00
               111           112           113           114           115 
      1  -0.521314D+00 -0.550029D+01 -0.826344D+00 -0.100549D+01 -0.188056D+01
      2   0.893539D+00 -0.826344D+00 -0.122468D+01  0.146642D+01 -0.670366D+00
      3   0.210088D+01 -0.100549D+01  0.146642D+01 -0.209605D+01  0.283486D+01
               116           117           118           119           120 
      1  -0.670366D+00  0.283486D+01  0.443500D+01  0.247225D+01  0.764359D+00
      2   0.190456D+01 -0.289075D+01  0.247225D+01 -0.249659D+01 -0.249053D-01
      3  -0.289075D+01 -0.159537D+01  0.764359D+00 -0.249053D-01 -0.137936D+01
               121           122           123           124           125 
      1  -0.662418D+01 -0.794173D+00  0.378774D+00 -0.526860D+00  0.118988D+01
      2  -0.794173D+00 -0.170674D+01  0.118673D+01  0.118988D+01  0.114585D+01
      3   0.378774D+00  0.118673D+01 -0.142794D+01 -0.701157D+00 -0.291771D+01
               126           127           128           129           130 
      1  -0.701157D+00 -0.321482D+01  0.225388D+01  0.198252D+00  0.232758D+01
      2  -0.291771D+01  0.225388D+01 -0.278322D+01 -0.263147D+00 -0.284493D+01
      3  -0.302871D+01  0.198252D+00 -0.263147D+00 -0.423979D+00 -0.510358D+00
               131           132           133           134           135 
      1  -0.284493D+01 -0.510358D+00  0.608806D-01 -0.391895D+00 -0.910671D-01
      2   0.617602D+01  0.871913D+00 -0.391895D+00  0.122546D+01  0.276727D+00
      3   0.871913D+00  0.874639D+00 -0.910671D-01  0.276727D+00  0.167686D+00
               136           137           138           139           140 
      1   0.242571D+01  0.269649D+01  0.800532D+00  0.232991D+01  0.377381D+01
      2   0.269649D+01  0.294186D+01  0.796393D+00  0.377381D+01  0.897298D+01
      3   0.800532D+00  0.796393D+00  0.590499D+00  0.993143D+00  0.217130D+01
               141           142           143           144           145 
      1   0.993143D+00  0.800708D+00  0.120654D+01  0.374583D+00  0.132945D+02
      2   0.217130D+01  0.120654D+01  0.245602D+01  0.664414D+00  0.935109D+00
      3   0.136428D+01  0.374583D+00  0.664414D+00  0.393761D+00  0.125538D+01
               146           147           148           149           150 
      1   0.935109D+00  0.125538D+01  0.798012D+00  0.157000D+01  0.484090D+00
      2   0.814458D+00  0.671095D-01  0.157000D+01  0.341980D+00  0.180170D+00
      3   0.671095D-01  0.979973D+00  0.484090D+00  0.180170D+00  0.129069D+00
               151           152           153           154           155 
      1   0.131128D+01  0.479868D+00  0.978427D-01  0.452581D+01 -0.369635D+01
      2   0.479868D+00  0.120795D+00  0.149102D-01 -0.369635D+01  0.354360D+01
      3   0.978427D-01  0.149102D-01  0.149684D+00 -0.617855D+00  0.478027D+00
               156           157           158           159           160 
      1  -0.617855D+00 -0.355096D+01  0.438307D+01  0.920084D+00 -0.557811D+00
      2   0.478027D+00  0.438307D+01 -0.674884D+01 -0.122195D+01  0.742805D+00
      3   0.606639D+00  0.920084D+00 -0.122195D+01 -0.952334D+00  0.194109D+00
               161           162           163           164           165 
      1   0.742805D+00  0.194109D+00 -0.175720D+01 -0.186844D+01 -0.611742D+00
      2  -0.147660D+01 -0.350112D+00 -0.186844D+01 -0.209858D+01 -0.709892D+00
      3  -0.350112D+00 -0.224315D+00 -0.611742D+00 -0.709892D+00 -0.473005D+00
               166           167           168           169           170 
      1  -0.157595D+01 -0.220316D+01 -0.629678D+00 -0.816801D+00 -0.914295D+00
      2  -0.220316D+01 -0.770944D+01 -0.215475D+01 -0.914295D+00 -0.236475D+01
      3  -0.629678D+00 -0.215475D+01 -0.141639D+01 -0.227756D+00 -0.810778D+00
               171 
      1  -0.227756D+00
      2  -0.810778D+00
      3  -0.544520D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.320958D+00  0.736735D+00  0.975363D+00  0.140456D+00 -0.383927D+01
      2   0.593732D+01 -0.842829D+00  0.184233D+01  0.304262D+00  0.344074D+01
      3   0.142030D+02 -0.453403D+01  0.162711D+01  0.182069D+01  0.108582D+02
                 6             7             8             9            10 
      1  -0.421219D+01 -0.222690D+01  0.378803D+01  0.494524D+00 -0.142308D+01
      2  -0.268069D+01 -0.284923D+01 -0.809199D+00  0.305670D+01  0.267459D+01
      3  -0.533554D+01  0.488203D+00 -0.182274D+01  0.323092D+01  0.165747D+01
                11            12            13            14            15 
      1  -0.377626D+00  0.207423D+00  0.887088D+00  0.252301D+01  0.940213D+00
      2   0.155763D+01 -0.240759D+01  0.307440D+01 -0.607833D+01 -0.699990D+01
      3   0.148771D+01 -0.250505D+00  0.118268D+02 -0.212266D+01  0.838198D+01
                16            17            18            19            20 
      1   0.463398D+01  0.485696D+01 -0.148963D+01 -0.634196D+00  0.777611D+00
      2  -0.154813D+02 -0.928295D+01 -0.305244D+00 -0.619485D+01  0.362558D+00
      3  -0.990900D+00  0.675983D+01  0.620597D+01 -0.867005D+01 -0.364484D+01
                21            22            23            24            25 
      1   0.705473D+00  0.403099D+00 -0.107395D+00 -0.497694D+00  0.552133D+00
      2   0.435248D+01 -0.953885D-01 -0.879935D+00  0.101605D+00  0.130759D+01
      3   0.117048D+00 -0.113234D+01  0.218121D+00  0.407860D+00  0.330911D+00
                26            27            28            29            30 
      1   0.963850D-01 -0.335417D+00 -0.793805D+00  0.147165D+00 -0.107415D+01
      2  -0.415114D+00  0.425266D-01  0.167712D+01  0.387380D+00  0.256583D+01
      3   0.387227D+00 -0.279004D+00 -0.293783D+01 -0.272513D+01 -0.185504D+00
                31            32            33            34            35 
      1  -0.193230D+00  0.142301D+01 -0.247401D+01 -0.124377D+01  0.127386D+01
      2  -0.538782D+00  0.455670D+01  0.577871D+01  0.361500D+00  0.429590D+01
      3   0.476032D+00 -0.777044D+01 -0.554577D+01  0.657921D+00 -0.521214D+01
                36            37            38            39            40 
      1  -0.256454D+01  0.373512D+01 -0.332952D+01 -0.165377D+01 -0.630749D-01
      2   0.752132D+01 -0.136458D+02 -0.483796D+01  0.927773D+01 -0.657140D+01
      3  -0.482258D+01 -0.360482D+01 -0.114145D+02  0.104358D+01 -0.471809D+01
                41            42            43            44            45 
      1   0.203766D+01 -0.107484D+02 -0.172490D+01 -0.517819D+01 -0.325924D+01
      2   0.105685D+02  0.703157D+01  0.580806D+01  0.760181D+01  0.368142D+01
      3   0.107814D+02 -0.111281D+02  0.164822D+01 -0.982360D+01 -0.609706D+01
                46            47            48            49            50 
      1  -0.398037D+00 -0.213736D+00 -0.274674D+00 -0.243041D+01 -0.369183D+01
      2  -0.282779D+01 -0.120658D+01 -0.115877D+01 -0.113729D+01  0.754381D+00
      3  -0.313893D+01  0.528891D+01  0.100575D+01  0.145790D+02  0.147534D+01
                51            52            53            54            55 
      1   0.143609D+01 -0.741717D-01  0.955419D+01  0.275484D+01 -0.161324D+01
      2   0.113694D+01 -0.130611D+02  0.654450D+00  0.333189D+00 -0.211107D+01
      3  -0.135350D+01  0.456177D+00  0.655048D+00 -0.374371D+00 -0.502819D+01
                56            57            58            59            60 
      1   0.208095D+01  0.102505D+01  0.138707D+01 -0.602604D+01 -0.836215D+00
      2   0.269511D+01 -0.204970D+01  0.327619D+01 -0.730076D+01  0.438895D+01
      3   0.519811D+01 -0.165751D+01  0.690912D+01 -0.164395D+02  0.631943D+01
                61            62            63            64            65 
      1   0.416099D+00  0.231040D+01  0.314688D+00 -0.800390D+00 -0.148722D+01
      2  -0.247252D+01  0.334160D+01 -0.394644D+01  0.104328D+02  0.101192D+01
      3  -0.998521D+00  0.465040D+01 -0.390385D+01  0.637670D+01 -0.549492D+01
                66            67            68            69            70 
      1  -0.159031D+01 -0.140738D+01 -0.668293D+00 -0.171857D+00 -0.124508D+01
      2   0.671622D+01  0.166279D+01 -0.229842D+00  0.312992D+00  0.186266D+01
      3   0.209188D+00 -0.147540D+01 -0.215456D+01  0.141282D+01 -0.899445D-01
                71            72            73            74            75 
      1   0.107692D+01 -0.478796D-02  0.148113D+01  0.147883D+01  0.647254D+00
      2  -0.296708D+00  0.870571D+00 -0.200862D+01 -0.957930D+00 -0.256189D+01
      3   0.651330D+00  0.147022D+01  0.203484D+01  0.105806D+01 -0.840381D-01
                76            77            78            79            80 
      1   0.544116D+00  0.570002D+01  0.399685D+01 -0.153084D+00  0.626587D+01
      2  -0.143983D+01 -0.599113D+01 -0.813401D+01 -0.293970D+01 -0.498693D+01
      3   0.177629D+01  0.576256D+01  0.587954D+01 -0.535901D+00  0.531869D+01
                81            82            83            84            85 
      1   0.664353D+01 -0.508695D+00  0.685876D-01  0.323931D+01 -0.884288D+00
      2  -0.124870D+02  0.240314D+01  0.461051D+00 -0.156941D+01  0.381245D+01
      3   0.539723D+01  0.258345D+01 -0.504019D+00  0.110972D+01  0.563544D+01
                86            87            88            89            90 
      1   0.366146D+00 -0.256677D+01  0.621586D+01  0.306044D+01  0.383980D-01
      2   0.103915D+01  0.490502D+00 -0.115806D+02 -0.366072D+00 -0.187827D+00
      3  -0.607669D+01  0.885875D+00 -0.501863D+00 -0.428173D+00 -0.509134D+01
                91            92            93            94            95 
      1   0.735903D+00  0.736538D+00 -0.191860D+01  0.152950D+01  0.648121D-01
      2  -0.426564D+00  0.252539D+01  0.182968D+00  0.117288D+01 -0.360517D+01
      3  -0.246837D+00 -0.108249D+02 -0.265475D+01  0.460685D+01 -0.161011D+01
                96            97            98            99           100 
      1  -0.374106D+01 -0.477182D+01  0.148836D+01 -0.160804D+01  0.278647D+00
      2   0.588674D+01 -0.770708D+01  0.826873D+01  0.493400D+01 -0.166808D+00
      3   0.217338D+01 -0.680110D-01  0.260789D+01 -0.412970D+01 -0.946355D+00
               101           102           103           104           105 
      1  -0.649300D+00 -0.123923D+01 -0.111654D+01 -0.332407D+01  0.296758D+01
      2  -0.564813D+00  0.927247D+01 -0.470582D+01 -0.208810D+00  0.343175D+00
      3  -0.791531D+01  0.464638D+00  0.102312D+02  0.515889D+00  0.173174D+01
               106           107           108           109           110 
      1  -0.172416D+01  0.103993D+02  0.314570D+01 -0.727941D+00 -0.103155D+01
      2   0.705787D+01  0.136729D+01  0.303307D+01 -0.105442D+01  0.224431D+01
      3   0.428017D+01  0.121225D+01  0.444469D+00  0.773901D+00 -0.112256D+02
               111           112           113           114           115 
      1   0.321332D+01 -0.166946D+01  0.233003D+00 -0.272802D+01  0.645680D+01
      2   0.265821D+01 -0.106915D+01  0.382902D+01 -0.638341D+01 -0.423379D+01
      3  -0.238164D+01  0.633338D+01  0.932870D+00 -0.268553D+01 -0.963534D-01
               116           117           118           119           120 
      1   0.329448D+01  0.138852D+01 -0.981208D-01  0.186793D+01 -0.255066D+01
      2  -0.909794D+01 -0.471208D+01  0.397252D+01  0.199163D+01 -0.134796D+01
      3  -0.430111D+01  0.327629D+01 -0.185769D+01 -0.216276D+01 -0.260034D+01
               121           122           123           124           125 
      1   0.141357D+01  0.601240D+00 -0.308138D+01 -0.483367D+01  0.160740D+01
      2   0.136381D+01 -0.785934D+00 -0.121175D+01 -0.129834D+02 -0.111401D+01
      3   0.279109D+01  0.639041D+01 -0.556930D-01 -0.355629D+01 -0.918681D+00
               126           127           128           129           130 
      1  -0.732824D+00  0.362872D+00 -0.812297D+00  0.194363D+01  0.219957D+00
      2  -0.308493D+01  0.168398D+01 -0.813158D+00  0.448845D+00 -0.668342D+00
      3   0.477728D+01 -0.884396D+01  0.362559D+01  0.251434D+00  0.670519D+01
               131           132           133           134           135 
      1  -0.107733D+00 -0.324447D+01 -0.202402D+00  0.182872D+01  0.379300D-01
      2   0.120249D+01 -0.941431D+00 -0.163445D+01  0.616491D+00 -0.210782D+00
      3  -0.535141D+01 -0.122795D+01 -0.211507D+00 -0.705409D+00 -0.294963D+00
               136           137           138           139           140 
      1  -0.229005D+00  0.669676D-01 -0.180378D+01 -0.210931D+00  0.534913D+00
      2   0.427349D+00  0.754890D+00  0.182286D+01  0.687641D+00  0.322754D+01
      3  -0.777316D+00 -0.265365D+01 -0.521129D+00 -0.140517D+01 -0.130740D+02
               141           142           143           144           145 
      1  -0.424542D+01  0.604594D+00  0.216754D+01 -0.575933D+00 -0.130534D+00
      2   0.353179D+01 -0.560902D+00  0.291883D+00  0.792976D+00  0.173404D+01
      3  -0.284426D+01 -0.625753D+00 -0.351903D+01 -0.839742D+00 -0.285214D+00
               146           147           148           149           150 
      1   0.441627D+00 -0.447899D+00  0.864296D-01 -0.219602D-01 -0.367305D+00
      2  -0.292806D-01  0.619258D+01  0.185187D+01  0.419208D+00  0.734275D+00
      3  -0.528566D+01  0.117857D+00 -0.360018D+01 -0.851571D+00 -0.419324D+00
               151           152           153           154           155 
      1   0.283084D+00  0.636549D+00  0.430580D-01  0.288646D+00 -0.776147D+00
      2  -0.287163D+01 -0.118614D+00  0.487055D+00  0.191599D+00 -0.173763D+00
      3  -0.153848D+01 -0.794104D+00 -0.171266D+00  0.155192D+01 -0.484440D+01
               156           157           158           159           160 
      1   0.215450D+01  0.325378D+00  0.192985D+00 -0.342125D+01 -0.919995D+00
      2   0.260385D+01  0.833124D+00 -0.160805D+01 -0.339359D+01 -0.779125D+00
      3  -0.214887D+00 -0.318213D+01  0.110839D+02  0.152282D+01 -0.119027D+01
               161           162           163           164           165 
      1   0.173376D+01 -0.371230D+00  0.153776D+00  0.274445D+00 -0.155825D+01
      2   0.365189D+00 -0.494060D+00 -0.200973D+01 -0.133127D+01  0.283039D-01
      3   0.269872D+01  0.522719D+00  0.654655D+01  0.377666D+01  0.135407D+01
               166           167           168           169           170 
      1   0.349867D+00  0.875499D+00 -0.387401D+01  0.566752D+00  0.253367D+01
      2  -0.181343D+01 -0.234980D+01  0.752417D-02 -0.229855D+01 -0.921809D+00
      3   0.687782D+01  0.803830D+01  0.257290D+01  0.254219D+01  0.258360D+01
               171 
      1  -0.669647D+00
      2  -0.171403D-01
      3   0.678786D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.336692D+02  0.133690D+01  0.835399D+00 -0.733521D+01 -0.511678D+01
      2   0.186383D+02 -0.265841D+01 -0.159179D+01  0.135784D+01  0.127774D+02
      3   0.150308D+02  0.132151D+01  0.756388D+00  0.597737D+01 -0.766065D+01
      4   0.436657D+01  0.557228D+01 -0.226903D+01  0.189724D+02 -0.208550D+02
      5  -0.511927D+01 -0.235280D+01  0.618363D+01 -0.953189D+01  0.117054D+02
      6  -0.228495D+01 -0.120516D+00 -0.238024D+01  0.441028D+01 -0.646823D+01
                 6             7             8             9            10 
      1   0.792956D+00  0.133526D+01  0.262366D+01 -0.341127D+01  0.107047D+02
      2   0.126814D+01 -0.129996D+01 -0.171079D+01 -0.435158D+01 -0.340986D+01
      3  -0.206110D+01 -0.353041D-01 -0.912871D+00  0.776285D+01 -0.729482D+01
      4   0.122331D+02 -0.690164D+01  0.467645D+01 -0.622295D+01 -0.331076D+01
      5  -0.587702D+01  0.119110D+02 -0.673492D+01  0.890122D+01  0.573680D+01
      6   0.118318D+02 -0.184636D+01  0.778511D+01 -0.660694D+01  0.185176D+01
                11            12            13            14            15 
      1   0.203046D+01 -0.159253D+01  0.350860D+01 -0.150535D+01  0.628690D+01
      2   0.398514D+00 -0.969302D+00  0.226313D+01  0.719187D+00 -0.986502D+01
      3  -0.242898D+01  0.256183D+01 -0.577173D+01  0.786167D+00  0.357812D+01
      4  -0.121459D+02  0.358322D+01 -0.225668D+02 -0.524328D+01 -0.177047D+02
      5   0.413844D+01 -0.150400D+02  0.115673D+02 -0.168442D+02 -0.171915D+02
      6   0.908327D+00 -0.224812D+01 -0.500927D+01 -0.608166D+01 -0.146244D+02
                16            17            18            19            20 
      1   0.118864D+02  0.705948D+01 -0.173531D+01  0.608170D+02 -0.862338D+01
      2  -0.936975D+01 -0.306720D+01  0.481173D+01 -0.318059D+02  0.346152D+01
      3  -0.251668D+01 -0.399228D+01 -0.307642D+01 -0.290112D+02  0.516186D+01
      4   0.124278D+02 -0.929392D+01 -0.206979D+02 -0.215572D+02  0.105828D+02
      5  -0.272159D+02 -0.191057D+02 -0.295320D+00  0.135882D+02 -0.292894D+01
      6  -0.114229D+02 -0.119756D+02 -0.791219D+00 -0.188826D+01  0.129550D+01
                21            22            23            24            25 
      1   0.371660D+01  0.624597D+00  0.367847D+01  0.236123D-01 -0.116773D+01
      2  -0.294510D+01 -0.175136D+01 -0.812478D+00 -0.822025D-01 -0.641481D-01
      3  -0.771493D+00  0.112676D+01 -0.286599D+01  0.585902D-01  0.123187D+01
      4  -0.241869D+01  0.721531D+01 -0.321140D+01  0.243319D+00  0.117995D+01
      5   0.783442D+01  0.398678D+00  0.713066D+00 -0.368850D+00  0.614154D+01
      6  -0.166643D+01  0.133051D+01  0.140325D-01  0.132715D+01 -0.116497D+01
                26            27            28            29            30 
      1   0.624227D+00  0.314888D+01  0.286642D+01  0.235777D+01  0.331987D+01
      2   0.237362D+00 -0.259486D+01 -0.192598D+01 -0.104260D+01 -0.187035D+01
      3  -0.861589D+00 -0.554018D+00 -0.940435D+00 -0.131517D+01 -0.144953D+01
      4  -0.433136D+00 -0.174191D+01  0.789158D+01  0.896010D+01  0.418084D+01
      5  -0.146485D+01  0.229383D+01  0.706513D+01  0.411555D+01  0.102937D+02
      6   0.875513D+00 -0.173664D+00  0.500076D+01  0.189486D+01  0.275461D+01
                31            32            33            34            35 
      1   0.219580D+01 -0.701314D+01 -0.565064D+01  0.142067D+01 -0.603324D+01
      2  -0.851493D+00  0.733739D+01  0.376459D+01 -0.207656D+01  0.130932D+01
      3  -0.134431D+01 -0.324257D+00  0.188605D+01  0.655893D+00  0.472392D+01
      4   0.114328D+02  0.190103D+02  0.121396D+02  0.532885D+01  0.117114D+02
      5   0.555043D+01  0.116123D+02  0.136856D+02  0.132523D+02  0.120409D+02
      6   0.439475D+01  0.132239D+02  0.127689D+02  0.562567D+01  0.123299D+02
                36            37            38            39            40 
      1  -0.845296D+01 -0.633089D+02 -0.172890D+02  0.565650D+01 -0.147535D+02
      2  -0.364125D+01  0.255484D+02  0.127125D+02  0.106980D+01  0.823343D+01
      3   0.120942D+02  0.377606D+02  0.457647D+01 -0.672630D+01  0.652007D+01
      4   0.128592D+02 -0.216649D+02  0.846755D+01 -0.302959D+01  0.109831D+02
      5   0.193591D+02  0.789113D+01 -0.360468D+00  0.124969D+02 -0.602318D+01
      6   0.141928D+02  0.119393D+01 -0.761816D+01  0.476295D+01 -0.584543D+01
                41            42            43            44            45 
      1   0.225173D+02 -0.211780D+01 -0.581283D+01 -0.317189D+01  0.114224D+02
      2  -0.140088D+02  0.157937D+02  0.861133D+01  0.128945D+02 -0.419230D+01
      3  -0.850858D+01 -0.136759D+02 -0.279850D+01 -0.972262D+01 -0.723006D+01
      4  -0.542748D+01  0.125145D+02 -0.125208D+02  0.828184D+01  0.198958D+02
      5   0.782671D+01  0.164737D+02  0.233741D+02  0.177204D+02 -0.523155D+01
      6   0.741798D+01 -0.469246D+01  0.962052D+01 -0.841101D+00 -0.103524D+02
                46            47            48            49            50 
      1  -0.179393D+02 -0.802390D+00 -0.233525D+01  0.321272D+01 -0.820701D+01
      2   0.606185D+01  0.169034D+00 -0.272209D+00 -0.437273D+01  0.126958D+02
      3   0.118775D+02  0.633356D+00  0.260745D+01  0.116001D+01 -0.448881D+01
      4   0.980195D+01  0.455380D+01  0.804585D-01 -0.925098D+01 -0.363110D+01
      5  -0.715357D+01 -0.607197D+00 -0.260497D-01 -0.509939D+01  0.115759D+01
      6  -0.282105D+01  0.844390D+00  0.692591D+00 -0.258608D+01  0.532580D+01
                51            52            53            54            55 
      1  -0.920999D+00 -0.781275D+01 -0.219927D+01 -0.904996D+01 -0.956834D+00
      2   0.674468D+01  0.220433D+00  0.348584D+01 -0.239531D+01  0.308698D+01
      3  -0.582368D+01  0.759232D+01 -0.128656D+01  0.114453D+02 -0.213014D+01
      4   0.673996D+00 -0.581405D+01  0.204241D+00  0.277374D+01  0.230185D+01
      5   0.191734D+01  0.493644D+01  0.230883D+01 -0.454251D+00  0.657610D+00
      6  -0.164092D+01 -0.478080D+00  0.749852D+01 -0.293647D+01 -0.324201D+01
                56            57            58            59            60 
      1   0.102721D+02 -0.521276D+01  0.104498D+02 -0.240739D+02  0.973244D+01
      2  -0.875306D+01  0.163290D+01 -0.693190D+01  0.271428D+02 -0.674238D+01
      3  -0.151903D+01  0.357986D+01 -0.351787D+01 -0.306888D+01 -0.299006D+01
      4  -0.201321D+01  0.942372D+00  0.302036D+01  0.227367D+02 -0.907485D+01
      5  -0.820477D+00 -0.186308D+01 -0.381114D+01 -0.630192D+01  0.597573D+01
      6   0.541725D+01 -0.401377D+01  0.197606D+01 -0.189750D+02  0.120657D+02
                61            62            63            64            65 
      1  -0.223321D+01  0.764314D+01 -0.958527D+01  0.891518D+02  0.109253D+02
      2   0.517865D+00 -0.446877D+01  0.329250D+01 -0.433225D+02 -0.321502D+01
      3   0.171534D+01 -0.317437D+01  0.629277D+01 -0.458293D+02 -0.771028D+01
      4   0.701345D+00 -0.626682D+01  0.362761D+01  0.293366D+02  0.153737D+02
      5   0.973400D+00  0.347114D+01 -0.461143D+01 -0.232194D+02 -0.416949D+01
      6  -0.202105D+01  0.107472D+02 -0.679945D+01 -0.377713D+01 -0.286066D+01
                66            67            68            69            70 
      1  -0.260525D+01  0.714185D+01  0.585662D+01  0.345581D+00  0.724238D+01
      2   0.427148D+01 -0.107248D+01 -0.901443D+00 -0.107210D+01 -0.117708D+01
      3  -0.166623D+01 -0.606938D+01 -0.495518D+01  0.726521D+00 -0.606530D+01
      4  -0.250519D+01  0.153335D+02  0.795258D+01 -0.233724D+01  0.255656D+01
      5   0.134196D+02 -0.197979D+01 -0.331944D+01  0.609589D+00  0.983434D+01
      6   0.319913D+01 -0.223890D+01 -0.216617D+01  0.253266D+01  0.251412D+01
                71            72            73            74            75 
      1   0.814899D+00  0.620586D+01  0.374416D+01 -0.112433D+01 -0.611026D+01
      2  -0.666943D+00 -0.453636D+01 -0.367735D+01 -0.113824D+00  0.460474D+00
      3  -0.147956D+00 -0.166950D+01 -0.668092D-01  0.123815D+01  0.564978D+01
      4   0.748975D+00  0.108201D+01 -0.743183D+00 -0.132546D+01 -0.235647D-01
      5   0.197842D+00 -0.662580D+00 -0.268438D+01  0.156164D+01 -0.619440D-01
      6   0.169895D+01  0.521489D+00  0.169622D+01  0.187953D+01 -0.370341D+00
                76            77            78            79            80 
      1  -0.442030D+01 -0.711177D+01 -0.560508D+01 -0.488729D+01 -0.401198D+01
      2   0.299419D+01 -0.509191D+00 -0.763991D+01  0.314637D+01 -0.633020D+01
      3   0.142612D+01  0.762096D+01  0.132450D+02  0.174092D+01  0.103422D+02
      4   0.355746D+00 -0.110036D+02 -0.100957D+02  0.289497D+00 -0.941539D+01
      5   0.618004D+01 -0.810515D+01 -0.145769D+02  0.583992D+01 -0.761630D+01
      6   0.266445D+00  0.715145D+01  0.719897D+01 -0.291242D+00  0.676295D+01
                81            82            83            84            85 
      1  -0.140219D+02  0.135466D+01  0.175841D+02  0.583103D+01 -0.551531D+01
      2  -0.125579D+02 -0.359470D+01 -0.121452D+02 -0.525140D+00  0.126550D+02
      3   0.265798D+02  0.224004D+01 -0.543887D+01 -0.530589D+01 -0.713967D+01
      4  -0.971942D+01  0.935749D+01 -0.115519D+02 -0.129126D+00  0.244592D+01
      5  -0.205460D+02  0.416774D+01 -0.696388D+00 -0.211563D+01  0.314395D+01
      6   0.504348D+01  0.277852D+01 -0.214710D+01 -0.616440D+01  0.771394D+01
                86            87            88            89            90 
      1   0.156791D+01  0.444872D+01 -0.152102D+01  0.685205D+01 -0.136508D+02
      2  -0.474262D+01 -0.369048D+01  0.630183D+01 -0.894962D+01  0.142238D+01
      3   0.317471D+01 -0.758243D+00 -0.478081D+01  0.209757D+01  0.122285D+02
      4   0.148712D+02  0.279671D+01  0.264110D+01  0.484121D+00  0.370061D+01
      5   0.246337D+01  0.222988D+00  0.445857D+01  0.284909D+01 -0.123736D+01
      6  -0.585275D+01  0.548928D+01 -0.182176D+01  0.117007D+02 -0.115353D+00
                91            92            93            94            95 
      1   0.816421D+01 -0.223759D+02 -0.317732D+01  0.216918D+02  0.116234D+02
      2  -0.601590D+01  0.148721D+02  0.973327D+00 -0.201673D+02 -0.146544D+02
      3  -0.214831D+01  0.750378D+01  0.220400D+01 -0.152451D+01  0.303106D+01
      4  -0.137917D+02 -0.646629D+01 -0.465349D+01  0.980512D+01 -0.321463D+01
      5  -0.645589D+01 -0.303967D+01 -0.277529D+01  0.254915D-01 -0.808358D+01
      6  -0.539325D+01 -0.172616D+01  0.398895D+01 -0.609701D+01 -0.124791D+02
                96            97            98            99           100 
      1   0.317650D+01  0.462665D+01 -0.979312D+00 -0.544398D+01 -0.149279D+02
      2  -0.793720D+01 -0.845346D+01 -0.829839D+01 -0.655753D+01  0.852749D+01
      3   0.476070D+01  0.382681D+01  0.927770D+01  0.120015D+02  0.640042D+01
      4  -0.756368D+01 -0.503757D+01 -0.117306D+02  0.117349D+02 -0.224011D+01
      5   0.118872D+02  0.124793D+02  0.123494D+02  0.100159D+02 -0.684377D+01
      6   0.541881D+01  0.434640D+01  0.125185D+02  0.353456D+01  0.399467D+00
               101           102           103           104           105 
      1  -0.238989D+01 -0.737944D+01  0.794258D+01 -0.206336D+02 -0.837583D+01
      2   0.184249D+01  0.317035D+01 -0.615724D+01  0.185338D+02  0.119235D+02
      3   0.547395D+00  0.420909D+01 -0.178534D+01  0.209983D+01 -0.354769D+01
      4   0.232881D+02 -0.176078D+00 -0.195941D+02 -0.537038D+01 -0.459364D+01
      5  -0.443804D+00  0.203333D+02 -0.139915D+02 -0.189987D+01  0.810018D+00
      6   0.412055D+00  0.231801D+01 -0.356249D+01  0.516612D+01 -0.465652D+01
               106           107           108           109           110 
      1  -0.605192D+01 -0.895699D+01  0.114963D+02  0.101047D+01  0.237398D+02
      2   0.969333D+00  0.663092D+01 -0.151897D+02 -0.385180D+01 -0.146001D+02
      3   0.508259D+01  0.232607D+01  0.369346D+01  0.284133D+01 -0.913973D+01
      4  -0.143095D+02 -0.597400D+00  0.198105D+00  0.188768D+02  0.279711D+01
      5   0.330960D+02  0.186645D+01  0.636245D+01 -0.212816D-01  0.194382D+01
      6   0.597047D+00  0.707792D+01 -0.475172D+01  0.179812D+01 -0.195242D+01
               111           112           113           114           115 
      1   0.647125D+01 -0.251047D+02  0.469352D+01  0.183415D+01 -0.893221D+01
      2   0.670941D+00  0.248974D+02 -0.842512D+01 -0.204526D+01  0.109039D+02
      3  -0.714220D+01  0.207254D+00  0.373160D+01  0.211115D+00 -0.197167D+01
      4   0.389714D+01  0.420670D+01  0.108247D+02  0.111352D+02 -0.194768D+00
      5   0.570183D+01 -0.506285D+01  0.943425D+01 -0.126849D+02  0.184761D+02
      6  -0.687995D+01  0.852427D+01 -0.766345D+01  0.571445D+01 -0.537680D+01
               116           117           118           119           120 
      1   0.590682D+01  0.216972D+01  0.971192D+01 -0.131516D+02 -0.894211D-01
      2  -0.984536D+01 -0.880004D+01 -0.719637D+01  0.103664D+02 -0.174170D+01
      3   0.393853D+01  0.663032D+01 -0.251556D+01  0.278520D+01  0.183112D+01
      4   0.979200D+01 -0.122387D+02 -0.109430D+02 -0.184254D+02 -0.448425D+01
      5  -0.129378D+02 -0.980393D+01  0.134812D+01 -0.333654D+01 -0.542688D+01
      6   0.114889D+02 -0.643418D+00 -0.314377D+01 -0.261919D+01  0.498957D+01
               121           122           123           124           125 
      1   0.249490D+01  0.874889D+01  0.573365D+01  0.270201D+01  0.371875D+01
      2  -0.920778D+01 -0.112078D+02 -0.811365D+01 -0.521313D+01 -0.103784D+02
      3   0.671288D+01  0.245895D+01  0.238000D+01  0.251112D+01  0.665969D+01
      4   0.121929D+02 -0.127624D+02 -0.202341D+01 -0.490874D+00 -0.408357D+01
      5  -0.551658D+00 -0.251997D+01 -0.141863D+01  0.151020D+01 -0.541404D+01
      6  -0.623508D+01 -0.114760D+02  0.324322D+01  0.165913D+01  0.103204D+02
               126           127           128           129           130 
      1  -0.147400D+02 -0.464978D+01  0.796028D+01  0.856685D+00  0.873255D+01
      2  -0.188248D+01  0.678313D+01 -0.109791D+02 -0.885858D+00 -0.115039D+02
      3   0.166224D+02 -0.213335D+01  0.301886D+01  0.291735D-01  0.277132D+01
      4  -0.702526D+01 -0.835959D+01  0.808409D+01  0.105132D+01  0.784869D+01
      5  -0.611071D+01 -0.678429D+00  0.114485D+01  0.133911D+01  0.135545D+01
      6   0.406919D+01  0.917427D+00 -0.112658D+01 -0.248275D+01 -0.230908D+01
               131           132           133           134           135 
      1  -0.218252D+02 -0.361769D+01  0.143120D+01 -0.401854D+01 -0.108157D+01
      2   0.294043D+02  0.294692D+01 -0.199963D+01  0.481783D+01  0.176526D+01
      3  -0.757910D+01  0.670775D+00  0.568435D+00 -0.799284D+00 -0.683689D+00
      4  -0.835063D+01 -0.954803D+00  0.103213D+01 -0.115218D+01 -0.191668D+01
      5  -0.130641D+01 -0.128698D+01  0.113861D+01 -0.804134D+00 -0.690045D+00
      6   0.490237D+01  0.533274D+01 -0.125023D+01  0.246727D+01  0.134191D+01
               136           137           138           139           140 
      1   0.628534D+01  0.505720D+01  0.124598D+01 -0.537638D+00 -0.139533D+02
      2   0.269886D+01  0.477255D+01  0.243298D+00  0.107202D+02  0.343682D+02
      3  -0.898419D+01 -0.982975D+01 -0.148928D+01 -0.101825D+02 -0.204149D+02
      4   0.195608D+02  0.236339D+02  0.596872D+01  0.246216D+02  0.458937D+02
      5   0.532042D+01  0.595993D+01  0.523465D+01  0.611731D+01  0.105186D+02
      6   0.395222D+01  0.455992D+01  0.335073D+01  0.601713D+01  0.139713D+02
               141           142           143           144           145 
      1  -0.354432D+01  0.521575D+00 -0.277564D+01 -0.178883D+01  0.100937D+03
      2   0.551844D+01  0.203767D+01  0.741704D+01  0.297840D+01 -0.571731D+02
      3  -0.197412D+01 -0.255925D+01 -0.464141D+01 -0.118957D+01 -0.437641D+02
      4   0.107179D+02  0.738212D+01  0.129959D+02  0.485791D+01  0.944078D+01
      5   0.672631D+01  0.286469D+01  0.414269D+01  0.289161D+01  0.124461D+02
      6   0.939984D+01  0.275586D+01  0.565714D+01  0.400462D+01 -0.237380D+01
               146           147           148           149           150 
      1   0.675317D+01  0.803405D+01  0.488525D+01  0.918117D+01  0.193234D+01
      2  -0.337135D+01 -0.546001D+01 -0.221559D+01 -0.424927D+01 -0.158581D+01
      3  -0.338182D+01 -0.257404D+01 -0.266966D+01 -0.493190D+01 -0.346530D+00
      4   0.898217D+01  0.523642D+00  0.147147D+02  0.291072D+01  0.148330D+01
      5   0.608572D+00  0.106628D+02  0.394021D+01  0.172040D+01  0.121862D+01
      6   0.420043D+00  0.241875D+00  0.101045D+01 -0.294339D-01  0.142142D+01
               151           152           153           154           155 
      1   0.965606D+01  0.218430D+01  0.384456D+01  0.194289D+02 -0.123162D+02
      2  -0.545765D+01 -0.115172D+01 -0.233286D+01 -0.256715D+01 -0.207509D+01
      3  -0.419841D+01 -0.103258D+01 -0.151170D+01 -0.168617D+02  0.143912D+02
      4   0.418177D+01  0.156691D+01  0.829975D+00 -0.313804D+02  0.299900D+02
      5   0.329761D+01  0.485500D+00  0.187703D+01 -0.587973D+01  0.429877D+01
      6   0.111278D+00  0.506057D+00  0.409962D+00  0.218212D+01 -0.184874D+01
               156           157           158           159           160 
      1  -0.240811D+01 -0.784768D+01  0.179748D+01  0.502200D+00 -0.446458D+00
      2   0.754550D+00 -0.700623D+01  0.185491D+02  0.120057D+01 -0.163166D+01
      3   0.165356D+01  0.148539D+02 -0.203466D+02 -0.170277D+01  0.207812D+01
      4   0.427367D+01  0.329232D+02 -0.444590D+02 -0.775946D+01  0.576363D+01
      5   0.576843D+01  0.671428D+01 -0.819261D+01 -0.623116D+01  0.265085D+01
      6  -0.309792D+01 -0.423406D+01  0.625194D+01  0.619417D+01 -0.197873D+01
               161           162           163           164           165 
      1  -0.566672D+00 -0.155150D+00 -0.530843D+01 -0.835261D+01 -0.322376D+01
      2   0.357260D+01  0.136405D+01  0.648736D+01  0.956276D+01  0.209770D+01
      3  -0.300593D+01 -0.120890D+01 -0.117893D+01 -0.121015D+01  0.112606D+01
      4  -0.797083D+01 -0.363574D+01  0.425043D+01  0.724288D+01  0.165919D+01
      5  -0.270281D+01 -0.158370D+01  0.120943D+01  0.145578D+01  0.177221D+01
      6   0.284588D+01  0.204011D+01  0.315365D+01  0.438764D+01  0.300552D+01
               166           167           168           169           170 
      1  -0.816210D+01 -0.306250D+02 -0.929105D+01 -0.287345D+01 -0.902815D+01
      2   0.970874D+01  0.387836D+02  0.824222D+01  0.311768D+01  0.101876D+02
      3  -0.154664D+01 -0.815868D+01  0.104883D+01 -0.244227D+00 -0.115949D+01
      4   0.540218D+01  0.522954D+00 -0.455120D+00  0.178453D+01  0.481977D+00
      5   0.105829D+01 -0.578527D+00  0.108796D+00  0.104318D+01  0.542118D+00
      6   0.384853D+01  0.142384D+02  0.940683D+01  0.161602D+01  0.613604D+01
               171 
      1  -0.432506D+01
      2   0.424353D+01
      3   0.815277D-01
      4   0.163866D+01
      5   0.900711D+00
      6   0.448404D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:35:23 2021, MaxMem=  5368709120 cpu:           14244.0 elap:            1786.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.47775 -10.49575 -10.44620 -10.44103 -10.44020
 Alpha  occ. eigenvalues --  -10.43922 -10.43841 -10.43489 -10.43484  -1.16766
 Alpha  occ. eigenvalues --   -1.00354  -0.92172  -0.88319  -0.86309  -0.77403
 Alpha  occ. eigenvalues --   -0.73468  -0.70309  -0.63917  -0.63005  -0.58041
 Alpha  occ. eigenvalues --   -0.56968  -0.55184  -0.54550  -0.52805  -0.50456
 Alpha  occ. eigenvalues --   -0.49639  -0.48006  -0.46476  -0.44009  -0.42926
 Alpha  occ. eigenvalues --   -0.39881  -0.34941  -0.34020
 Alpha virt. eigenvalues --   -0.01303  -0.00544  -0.00115   0.00613   0.01195
 Alpha virt. eigenvalues --    0.01429   0.02825   0.03039   0.03900   0.04217
 Alpha virt. eigenvalues --    0.05430   0.05893   0.06103   0.06884   0.08698
 Alpha virt. eigenvalues --    0.09233   0.09308   0.10042   0.10211   0.10347
 Alpha virt. eigenvalues --    0.11191   0.11798   0.11874   0.12630   0.12799
 Alpha virt. eigenvalues --    0.13081   0.13245   0.13706   0.14184   0.14479
 Alpha virt. eigenvalues --    0.14838   0.15276   0.15876   0.16984   0.17232
 Alpha virt. eigenvalues --    0.18219   0.20002   0.20809   0.22946   0.23593
 Alpha virt. eigenvalues --    0.24153   0.24814   0.25414   0.25768   0.26334
 Alpha virt. eigenvalues --    0.26913   0.27587   0.28903   0.29169   0.29361
 Alpha virt. eigenvalues --    0.29961   0.30203   0.31119   0.31487   0.31919
 Alpha virt. eigenvalues --    0.33020   0.33379   0.34082   0.34870   0.35632
 Alpha virt. eigenvalues --    0.36087   0.36738   0.37392   0.38262   0.38945
 Alpha virt. eigenvalues --    0.39079   0.40379   0.40501   0.41655   0.42549
 Alpha virt. eigenvalues --    0.43395   0.45139   0.45947   0.46448   0.46748
 Alpha virt. eigenvalues --    0.47800   0.48832   0.48990   0.50004   0.50173
 Alpha virt. eigenvalues --    0.50650   0.51559   0.52423   0.54057   0.54197
 Alpha virt. eigenvalues --    0.55267   0.55421   0.55857   0.56378   0.57486
 Alpha virt. eigenvalues --    0.58515   0.58832   0.59188   0.59352   0.60935
 Alpha virt. eigenvalues --    0.61190   0.61723   0.61935   0.62882   0.63313
 Alpha virt. eigenvalues --    0.64410   0.64441   0.65339   0.65580   0.66525
 Alpha virt. eigenvalues --    0.67569   0.68244   0.69579   0.69982   0.70332
 Alpha virt. eigenvalues --    0.71292   0.72328   0.72794   0.73786   0.74204
 Alpha virt. eigenvalues --    0.75585   0.76403   0.78187   0.79093   0.79805
 Alpha virt. eigenvalues --    0.80228   0.82069   0.82879   0.83561   0.83858
 Alpha virt. eigenvalues --    0.84888   0.85088   0.85519   0.86434   0.86921
 Alpha virt. eigenvalues --    0.89157   0.89406   0.90280   0.91162   0.93077
 Alpha virt. eigenvalues --    0.93916   0.94878   0.96183   0.96848   0.99234
 Alpha virt. eigenvalues --    1.00542   1.02475   1.03129   1.04583   1.05606
 Alpha virt. eigenvalues --    1.08134   1.11789   1.12698   1.14476   1.17460
 Alpha virt. eigenvalues --    1.17871   1.19610   1.21305   1.23714   1.25722
 Alpha virt. eigenvalues --    1.28993   1.35362   1.36634   1.37102   1.37500
 Alpha virt. eigenvalues --    1.40408   1.41648   1.42068   1.43707   1.44145
 Alpha virt. eigenvalues --    1.46424   1.47064   1.47858   1.48799   1.49304
 Alpha virt. eigenvalues --    1.49993   1.51796   1.53139   1.55254   1.58251
 Alpha virt. eigenvalues --    1.59090   1.59777   1.60356   1.61768   1.62844
 Alpha virt. eigenvalues --    1.63988   1.67425   1.69021   1.71344   1.72625
 Alpha virt. eigenvalues --    1.73752   1.74723   1.75072   1.76455   1.76796
 Alpha virt. eigenvalues --    1.79401   1.79656   1.80767   1.81659   1.83985
 Alpha virt. eigenvalues --    1.85403   1.87118   1.87693   1.89874   1.90740
 Alpha virt. eigenvalues --    1.93028   1.93957   1.94726   1.95272   1.98510
 Alpha virt. eigenvalues --    1.99169   2.01601   2.02213   2.03798   2.05704
 Alpha virt. eigenvalues --    2.07188   2.08080   2.09002   2.11822   2.12516
 Alpha virt. eigenvalues --    2.13762   2.15082   2.16975   2.18704   2.19864
 Alpha virt. eigenvalues --    2.19933   2.21379   2.23568   2.25449   2.27703
 Alpha virt. eigenvalues --    2.30670   2.33398   2.35632   2.36213   2.38377
 Alpha virt. eigenvalues --    2.41743   2.44517   2.50151   2.52666   2.53006
 Alpha virt. eigenvalues --    2.56048   2.57305   2.58692   2.60011   2.62645
 Alpha virt. eigenvalues --    2.67256   2.71550   2.73294   2.77555   2.81194
 Alpha virt. eigenvalues --    2.82418   2.86726   2.88049   2.90821   2.93621
 Alpha virt. eigenvalues --    3.03300   3.06039   3.09040   3.12958   3.19955
 Alpha virt. eigenvalues --    3.41370   3.45441   3.54708   3.56083   3.58755
 Alpha virt. eigenvalues --    3.63723   3.68777   4.08555   4.52448
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.060809  -0.138496   0.315105   0.009089  -0.061038  -0.104481
     2  C   -0.138496  11.765329   0.023437  -0.907114   0.422801  -0.794702
     3  H    0.315105   0.023437   0.637217  -0.027903  -0.067590   0.072103
     4  H    0.009089  -0.907114  -0.027903   1.904286   0.069106   0.268289
     5  C   -0.061038   0.422801  -0.067590   0.069106   4.637693   0.291859
     6  C   -0.104481  -0.794702   0.072103   0.268289   0.291859  24.782692
     7  H   -0.021303   0.272846   0.015202  -0.085045   0.229494  -0.272139
     8  H    0.043257  -0.182166  -0.022408  -0.042487   0.138694   0.458845
     9  H    0.013804  -0.141771  -0.010291   0.104627   0.338698  -0.258272
    10  C    0.347772  -1.872433  -0.092465  -0.137847  -0.454587 -12.468914
    11  C   -0.070155  -0.075696   0.005469  -0.016102   0.304551   5.921766
    12  C    0.035822  -0.029707  -0.003894  -0.002249  -0.211562  -7.002910
    13  C   -0.069893  -0.236185   0.006299   0.085189   0.319393   6.070753
    14  C    0.117583  -2.705576  -0.020387   0.144580  -0.643653 -13.824238
    15  H   -0.088946   0.218366   0.003750   0.017420   0.040899   1.121339
    16  H   -0.002033   0.039581   0.000347   0.000898   0.002119  -0.269976
    17  H    0.001234  -0.018175  -0.000067   0.000378  -0.003906   0.076965
    18  H   -0.002129   0.030072   0.000306   0.003848   0.000735  -0.285559
    19  H    0.002379   0.073208  -0.004136  -0.018422   0.068198   1.287265
               7          8          9         10         11         12
     1  O   -0.021303   0.043257   0.013804   0.347772  -0.070155   0.035822
     2  C    0.272846  -0.182166  -0.141771  -1.872433  -0.075696  -0.029707
     3  H    0.015202  -0.022408  -0.010291  -0.092465   0.005469  -0.003894
     4  H   -0.085045  -0.042487   0.104627  -0.137847  -0.016102  -0.002249
     5  C    0.229494   0.138694   0.338698  -0.454587   0.304551  -0.211562
     6  C   -0.272139   0.458845  -0.258272 -12.468914   5.921766  -7.002910
     7  H    1.617882  -0.341032  -0.246262  -0.064709  -0.018425   0.004417
     8  H   -0.341032   1.681728  -0.392351  -0.036865   0.031111  -0.013322
     9  H   -0.246262  -0.392351   1.500174   0.134896  -0.039286   0.021954
    10  C   -0.064709  -0.036865   0.134896  26.857131  -9.568400   6.547778
    11  C   -0.018425   0.031111  -0.039286  -9.568400  18.405631  -7.882067
    12  C    0.004417  -0.013322   0.021954   6.547778  -7.882067  15.756709
    13  C    0.030059   0.016020  -0.027840  -7.580928   6.952683  -8.077871
    14  C    0.075808  -0.119937   0.114078   4.868665  -7.713322   6.792231
    15  H    0.011065   0.003766  -0.025385  -2.377189   0.716615  -0.213822
    16  H   -0.001878   0.001272  -0.001398   1.190095  -1.696301   0.660549
    17  H    0.000129  -0.000252   0.000828  -0.095660   0.779688  -1.514236
    18  H   -0.000962   0.000974  -0.001358   0.106866  -0.240922   0.714120
    19  H   -0.031595  -0.000083   0.015624   0.019776   0.052066  -0.171163
              13         14         15         16         17         18
     1  O   -0.069893   0.117583  -0.088946  -0.002033   0.001234  -0.002129
     2  C   -0.236185  -2.705576   0.218366   0.039581  -0.018175   0.030072
     3  H    0.006299  -0.020387   0.003750   0.000347  -0.000067   0.000306
     4  H    0.085189   0.144580   0.017420   0.000898   0.000378   0.003848
     5  C    0.319393  -0.643653   0.040899   0.002119  -0.003906   0.000735
     6  C    6.070753 -13.824238   1.121339  -0.269976   0.076965  -0.285559
     7  H    0.030059   0.075808   0.011065  -0.001878   0.000129  -0.000962
     8  H    0.016020  -0.119937   0.003766   0.001272  -0.000252   0.000974
     9  H   -0.027840   0.114078  -0.025385  -0.001398   0.000828  -0.001358
    10  C   -7.580928   4.868665  -2.377189   1.190095  -0.095660   0.106866
    11  C    6.952683  -7.713322   0.716615  -1.696301   0.779688  -0.240922
    12  C   -8.077871   6.792231  -0.213822   0.660549  -1.514236   0.714120
    13  C   18.322833  -9.397377   0.127535  -0.274405   0.709794  -1.627882
    14  C   -9.397377  29.114282  -0.215304   0.108555  -0.166064   1.059059
    15  H    0.127535  -0.215304   2.591257  -0.123357  -0.024347   0.016029
    16  H   -0.274405   0.108555  -0.123357   1.969397  -0.079339  -0.028872
    17  H    0.709794  -0.166064  -0.024347  -0.079339   1.926170  -0.071436
    18  H   -1.627882   1.059059   0.016029  -0.028872  -0.071436   1.961056
    19  H    0.476520  -2.387193  -0.045868   0.013406  -0.025343  -0.130553
              19
     1  O    0.002379
     2  C    0.073208
     3  H   -0.004136
     4  H   -0.018422
     5  C    0.068198
     6  C    1.287265
     7  H   -0.031595
     8  H   -0.000083
     9  H    0.015624
    10  C    0.019776
    11  C    0.052066
    12  C   -0.171163
    13  C    0.476520
    14  C   -2.387193
    15  H   -0.045868
    16  H    0.013406
    17  H   -0.025343
    18  H   -0.130553
    19  H    2.610530
 Mulliken charges:
               1
     1  O   -0.388379
     2  C    0.256382
     3  H    0.169907
     4  H   -0.370540
     5  C    0.578095
     6  C    0.929314
     7  H   -0.173553
     8  H   -0.224764
     9  H   -0.100468
    10  C    0.677020
    11  C    0.151097
    12  C    0.589224
    13  C    0.175305
    14  C    0.798209
    15  H   -0.753821
    16  H   -0.508659
    17  H   -0.496360
    18  H   -0.503392
    19  H   -0.804616
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.218472
     2  C   -0.114158
     5  C    0.079310
     6  C    0.929314
    10  C   -0.076802
    11  C   -0.357561
    12  C    0.092864
    13  C   -0.328088
    14  C   -0.006406
 Electronic spatial extent (au):  <R**2>=           1264.9315
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1269    Y=             -1.2628    Z=              0.6334  Tot=              1.8072
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -44.1078   YY=            -52.1186   ZZ=            -58.3302
   XY=              1.6328   XZ=              0.0657   YZ=              2.8912
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.4111   YY=             -0.5997   ZZ=             -6.8114
   XY=              1.6328   XZ=              0.0657   YZ=              2.8912
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.1473  YYY=              1.7329  ZZZ=             -1.0141  XYY=              2.5705
  XXY=              2.1757  XXZ=             -1.5731  XZZ=             -8.1599  YZZ=             -0.5084
  YYZ=              0.5881  XYZ=              0.9968
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -988.6784 YYYY=           -360.2035 ZZZZ=           -170.3383 XXXY=            -29.2106
 XXXZ=             31.0540 YYYX=             -5.4170 YYYZ=              9.0246 ZZZX=              3.6992
 ZZZY=             -0.3465 XXYY=           -247.4436 XXZZ=           -237.2284 YYZZ=            -94.4800
 XXYZ=              6.0673 YYXZ=              1.5030 ZZXY=              0.2696
 N-N= 4.258905530360D+02 E-N=-1.749136153629D+03  KE= 3.834173965430D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:35:24 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.53321986D-01-4.49613410D-01 2.20954456D-01
 Polarizability= 1.21709584D+02 1.23939462D+00 9.77839299D+01
                 1.42346116D+00 6.58963769D+00 6.53077565D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6888   -0.6875        0.6093    0.5970
 2      0.6888    0.6875       -3.2343   -3.2358      -12.2611  -12.2310
 3     -0.6093   -0.5970       28.1863   28.1653        3.2499    3.2358
 4      3.2343    3.2358       -0.0000    0.0000       -0.6060   -0.5970
 5    -15.9253  -15.9344        0.6060    0.5970       -0.6926   -0.6875
 6     -3.2499   -3.2358        0.6926    0.6875       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.0624    2.0624        1.7909    1.7909
 2      9.7073    9.7073        0.0000    0.0000        1.7909    1.7909
 3      9.7073    9.7073        2.0624    2.0624        0.0000    0.0000
 4      2.0624    2.0624       -9.7073   -9.7073      -36.6929  -36.6929
 5     -1.7909   -1.7909       84.4960   84.4960        9.7073    9.7073
 6    -47.8031  -47.8031        1.7909    1.7909       -2.0624   -2.0624
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1534    0.0000        2.7810    2.7499       -2.2666   -2.3878
 2     -2.8823   -2.7499       12.3471   12.9431       48.7717   48.9239
 3      2.2955    2.3878     -112.3635 -112.6613      -12.9363  -12.9431
 4    -12.5170  -12.9431        0.0531    0.0000        2.1998    2.3878
 5     63.5247   63.7375       -2.0628   -2.3878        2.2734    2.7499
 6     13.2431   12.9431       -3.0782   -2.7499       -0.1631    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2469    0.0000        0.3927    0.4882      -10.4128   -9.7661
 2     -0.6466   -0.4882      -41.4649  -41.0872      -27.8998  -28.8239
 3      9.6642    9.7661      -22.2200  -22.6810       42.9064   41.0872
 4     41.6026   41.0872        0.4587    0.0000        8.7098    9.7661
 5     51.3504   51.5049      -10.8084   -9.7661        0.8821    0.4882
 6    -42.0027  -41.0872       -0.7410   -0.4882       -0.2376    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     18.1873   17.9939        2.9512    3.1732       19.9419   20.2070
 2     83.4978   82.5107       -4.6888   -4.8828       19.5576   20.2070
 3     83.2996   82.5107        3.2289    3.1732       18.0674   18.4878
 4      7.6487    8.0561      -64.5730  -64.5168      -36.7504  -37.4211
 5     -1.3912   -1.7192      -45.6896  -45.8674       64.7136   64.5168
 6     82.4649   83.2886       -0.0754    1.7192       -8.1685   -8.0561
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6511   -1.4476   -0.6406    0.0002    0.0005    0.0010
 Low frequencies ---   33.5755  131.6374  217.9885
 Diagonal vibrational polarizability:
        7.4278117       8.9598661      77.3602705
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     33.5615               131.6371               217.9884
 Red. masses --      3.5907                 3.4745                 2.4037
 Frc consts  --      0.0024                 0.0355                 0.0673
 IR Inten    --      1.3167                 3.6066                 2.3221
 RamAct Fr= 1--      3.3190                 3.6074                 0.1438
  Dep-P Fr= 1--      0.7499                 0.7278                 0.4930
  Dep-U Fr= 1--      0.8571                 0.8424                 0.6604
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0007
 Beta2  Fr= 1--      0.4741                 0.5065                 0.0158
 AlphaG Fr= 1--      0.0000                 0.0017                -0.0006
 Gamma2 Fr= 1--     -0.4679                -0.4602                -0.0887
 Delta2 Fr= 1--     -0.5307                -0.2028                -0.0417
 Raman1 Fr= 1--      13.276                 14.430                  0.575
 ROA1   Fr= 1--     -61.897                -50.668                 -9.853
 CID1   Fr= 1--      -4.662                 -3.511                -17.135
 Raman2 Fr= 1--       5.689                  6.078                  0.190
 ROA2   Fr= 1--      -6.984                 -9.423                 -1.797
 CID2   Fr= 1--      -1.228                 -1.550                 -9.463
 Raman3 Fr= 1--      11.379                 12.156                  0.380
 ROA3   Fr= 1--     -61.897                -50.668                 -9.853
 CID3   Fr= 1--      -5.440                 -4.168                -25.947
 RC180  Fr= 1--       0.714                  0.685                  0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.11   0.19    -0.12  -0.02   0.02     0.15   0.08   0.07
     2   6     0.00   0.05  -0.05    -0.01   0.02  -0.04    -0.02  -0.02  -0.01
     3   1    -0.02   0.07   0.15    -0.10  -0.04   0.24     0.14   0.23   0.14
     4   1     0.01   0.19  -0.19    -0.09  -0.02   0.01    -0.16   0.02  -0.02
     5   6     0.00  -0.21  -0.14     0.25   0.03   0.08    -0.00   0.06   0.03
     6   6     0.00   0.03  -0.02    -0.00   0.05  -0.18    -0.01  -0.13  -0.06
     7   1     0.01  -0.26  -0.32     0.34   0.06   0.03    -0.32  -0.14  -0.15
     8   1     0.01  -0.20  -0.17     0.23  -0.02   0.30    -0.07   0.48   0.18
     9   1    -0.01  -0.36  -0.01     0.37   0.06   0.02     0.39  -0.11   0.08
    10   6     0.03   0.06  -0.16    -0.00   0.04  -0.14    -0.09  -0.09  -0.06
    11   6     0.03   0.04  -0.15    -0.02  -0.03   0.06    -0.12   0.02  -0.01
    12   6     0.00  -0.01   0.01    -0.04  -0.07   0.20    -0.05   0.07   0.03
    13   6    -0.03  -0.04   0.15    -0.04  -0.03   0.06     0.05   0.03   0.01
    14   6    -0.03  -0.02   0.14    -0.02   0.03  -0.14     0.06  -0.08  -0.04
    15   1     0.05   0.09  -0.27     0.01   0.05  -0.19    -0.16  -0.14  -0.09
    16   1     0.06   0.06  -0.26    -0.01  -0.05   0.14    -0.20   0.05  -0.00
    17   1     0.00  -0.03   0.02    -0.06  -0.13   0.39    -0.06   0.14   0.08
    18   1    -0.05  -0.08   0.27    -0.05  -0.06   0.14     0.12   0.08   0.04
    19   1    -0.05  -0.04   0.25    -0.03   0.05  -0.19     0.14  -0.12  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    258.1857               272.1735               307.8811
 Red. masses --      1.0669                 1.3228                 3.0656
 Frc consts  --      0.0419                 0.0577                 0.1712
 IR Inten    --     96.3890                 8.1811                 1.1234
 RamAct Fr= 1--      1.2184                 0.2141                 1.5441
  Dep-P Fr= 1--      0.7323                 0.6924                 0.1852
  Dep-U Fr= 1--      0.8455                 0.8182                 0.3125
 Alpha2 Fr= 1--      0.0004                 0.0002                 0.0218
 Beta2  Fr= 1--      0.1717                 0.0292                 0.0804
 AlphaG Fr= 1--     -0.0019                 0.0008                 0.0009
 Gamma2 Fr= 1--      0.3826                 0.2385                -0.3878
 Delta2 Fr= 1--      0.1085                -0.0665                -0.0131
 Raman1 Fr= 1--       4.873                  0.857                  6.176
 ROA1   Fr= 1--      40.199                 20.764                -37.646
 CID1   Fr= 1--       8.249                 24.242                 -6.095
 Raman2 Fr= 1--       2.060                  0.350                  0.965
 ROA2   Fr= 1--       8.314                  6.256                 -9.202
 CID2   Fr= 1--       4.036                 17.852                 -9.535
 Raman3 Fr= 1--       4.120                  0.701                  1.930
 ROA3   Fr= 1--      40.199                 20.764                -37.646
 CID3   Fr= 1--       9.756                 29.627                -19.502
 RC180  Fr= 1--       0.691                  0.636                 -0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.02  -0.03    -0.06  -0.05  -0.07     0.07   0.06  -0.09
     2   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01     0.02   0.04  -0.09
     3   1     0.03   0.29   0.92    -0.04  -0.01   0.20     0.08   0.18   0.09
     4   1    -0.00  -0.01  -0.00     0.05  -0.03   0.01    -0.00   0.06  -0.10
     5   6    -0.04   0.02  -0.02     0.02  -0.02  -0.01     0.24  -0.03  -0.03
     6   6     0.01  -0.01   0.00     0.00   0.04   0.03    -0.03  -0.01   0.02
     7   1     0.03   0.08   0.07    -0.35  -0.28  -0.33     0.52   0.09  -0.07
     8   1    -0.02  -0.10  -0.09    -0.06   0.48   0.15     0.25  -0.28   0.16
     9   1    -0.16   0.08  -0.05     0.47  -0.31   0.15     0.23   0.03  -0.08
    10   6     0.01  -0.01  -0.00     0.03   0.03   0.05    -0.08  -0.03   0.14
    11   6     0.00   0.00  -0.00     0.04   0.00   0.01    -0.08  -0.01   0.04
    12   6     0.01   0.01   0.00     0.02  -0.01  -0.03    -0.08   0.03  -0.14
    13   6     0.02   0.00   0.00    -0.02  -0.00   0.01    -0.07  -0.02   0.03
    14   6     0.02  -0.01   0.00    -0.02   0.03   0.04    -0.08  -0.05   0.14
    15   1    -0.00  -0.01  -0.01     0.05   0.04   0.07    -0.11  -0.06   0.21
    16   1    -0.00   0.01  -0.01     0.07  -0.01  -0.00    -0.07  -0.01   0.04
    17   1     0.01   0.01  -0.00     0.02  -0.03  -0.07    -0.06   0.07  -0.33
    18   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.06  -0.02   0.04
    19   1     0.03  -0.01  -0.00    -0.05   0.04   0.04    -0.11  -0.07   0.23
                      7                      8                      9
                      A                      A                      A
 Frequencies --    376.0551               413.8222               482.0566
 Red. masses --      4.2985                 2.9661                 3.3005
 Frc consts  --      0.3582                 0.2993                 0.4519
 IR Inten    --      6.2454                 0.2157                 1.6721
 RamAct Fr= 1--      1.5492                 0.0084                 3.1315
  Dep-P Fr= 1--      0.4871                 0.6757                 0.0913
  Dep-U Fr= 1--      0.6551                 0.8065                 0.1674
 Alpha2 Fr= 1--      0.0081                 0.0000                 0.0560
 Beta2  Fr= 1--      0.1691                 0.0011                 0.0874
 AlphaG Fr= 1--     -0.0058                -0.0006                -0.0063
 Gamma2 Fr= 1--      0.2133                -0.1217                 0.1602
 Delta2 Fr= 1--      0.0057                -0.0260                -0.0941
 Raman1 Fr= 1--       6.197                  0.033                 12.526
 ROA1   Fr= 1--      20.659                -12.516                 12.370
 CID1   Fr= 1--       3.334               -374.474                  0.988
 Raman2 Fr= 1--       2.030                  0.013                  1.048
 ROA2   Fr= 1--       5.074                 -2.714                  4.598
 CID2   Fr= 1--       2.500               -201.356                  4.385
 Raman3 Fr= 1--       4.060                  0.027                  2.097
 ROA3   Fr= 1--      20.659                -12.516                 12.370
 CID3   Fr= 1--       5.089               -464.349                  5.899
 RC180  Fr= 1--       0.310                  0.613                 -0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.05  -0.11    -0.00   0.00   0.01     0.06  -0.14   0.18
     2   6     0.06  -0.04   0.13     0.01  -0.00  -0.00     0.17  -0.11  -0.08
     3   1     0.27   0.28   0.11    -0.00  -0.02  -0.01     0.07  -0.27   0.14
     4   1     0.12  -0.10   0.17     0.02  -0.00  -0.01     0.24  -0.08  -0.12
     5   6    -0.01  -0.15   0.09     0.00   0.01  -0.01     0.03   0.12  -0.12
     6   6    -0.02   0.08   0.10     0.00  -0.00  -0.00     0.06   0.07  -0.03
     7   1     0.04  -0.17  -0.05     0.00   0.01   0.01    -0.27   0.10   0.22
     8   1     0.01  -0.22   0.01     0.00   0.01  -0.01     0.00   0.38  -0.27
     9   1    -0.08  -0.28   0.22    -0.01   0.02  -0.02     0.04   0.32  -0.30
    10   6    -0.02   0.13  -0.06    -0.02  -0.05   0.21    -0.03   0.10   0.02
    11   6    -0.02   0.05  -0.06     0.02   0.05  -0.20    -0.04   0.03   0.04
    12   6    -0.12  -0.05   0.10    -0.00   0.00  -0.00    -0.11  -0.02  -0.05
    13   6    -0.13  -0.00  -0.06    -0.02  -0.05   0.20    -0.08  -0.05  -0.00
    14   6    -0.11   0.08  -0.09     0.02   0.05  -0.20    -0.06   0.01   0.01
    15   1    -0.00   0.16  -0.16    -0.05  -0.11   0.44    -0.06   0.07   0.04
    16   1     0.06   0.03  -0.13     0.04   0.11  -0.44     0.05  -0.02   0.08
    17   1    -0.13  -0.14   0.22    -0.00   0.00  -0.01    -0.11  -0.04  -0.09
    18   1    -0.15  -0.00  -0.12    -0.04  -0.11   0.44    -0.07  -0.05   0.03
    19   1    -0.19   0.16  -0.21     0.04   0.11  -0.43    -0.17   0.05   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --    544.1089               612.4865               638.1807
 Red. masses --      3.1831                 3.5630                 6.3810
 Frc consts  --      0.5552                 0.7875                 1.5312
 IR Inten    --     11.8020                14.4152                 0.1608
 RamAct Fr= 1--      0.8641                 0.9200                 4.3406
  Dep-P Fr= 1--      0.1995                 0.7462                 0.7466
  Dep-U Fr= 1--      0.3327                 0.8547                 0.8549
 Alpha2 Fr= 1--      0.0117                 0.0001                 0.0002
 Beta2  Fr= 1--      0.0479                 0.1311                 0.6185
 AlphaG Fr= 1--     -0.0025                 0.0007                -0.0029
 Gamma2 Fr= 1--      0.0791                 0.0785                -0.0223
 Delta2 Fr= 1--     -0.0769                 0.0451                -0.0373
 Raman1 Fr= 1--       3.457                  3.680                 17.363
 ROA1   Fr= 1--       5.130                  8.975                 -3.339
 CID1   Fr= 1--       1.484                  2.439                 -0.192
 Raman2 Fr= 1--       0.575                  1.573                  7.422
 ROA2   Fr= 1--       2.512                  1.522                 -0.238
 CID2   Fr= 1--       4.369                  0.968                 -0.032
 Raman3 Fr= 1--       1.150                  3.145                 14.844
 ROA3   Fr= 1--       5.130                  8.975                 -3.339
 CID3   Fr= 1--       4.460                  2.853                 -0.225
 RC180  Fr= 1--      -0.335                  0.709                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.03   0.00    -0.10   0.04  -0.07    -0.00   0.03  -0.01
     2   6     0.05   0.05  -0.04     0.17   0.18   0.16     0.00   0.01   0.02
     3   1    -0.07  -0.15   0.03    -0.07  -0.24   0.03    -0.00   0.04   0.01
     4   1     0.16   0.10  -0.11     0.17   0.10   0.23     0.02   0.01   0.02
     5   6     0.09   0.06  -0.09    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     6   6     0.01  -0.08   0.27     0.17  -0.02  -0.03    -0.01   0.14   0.03
     7   1     0.12   0.08  -0.08    -0.08  -0.10  -0.18    -0.00  -0.01  -0.01
     8   1     0.08   0.07   0.00     0.03  -0.04  -0.35    -0.01  -0.01   0.01
     9   1     0.16   0.09  -0.14    -0.29  -0.26   0.33    -0.02  -0.03   0.04
    10   6    -0.03  -0.02   0.04    -0.01   0.03  -0.03    -0.26   0.19   0.01
    11   6    -0.03   0.03  -0.13    -0.06   0.08   0.05    -0.23  -0.25  -0.07
    12   6    -0.06  -0.04   0.18    -0.17   0.02  -0.06     0.01  -0.14  -0.05
    13   6     0.03   0.00  -0.13     0.02  -0.11   0.01     0.28  -0.22  -0.02
    14   6     0.01  -0.06   0.03     0.04  -0.17  -0.07     0.22   0.22   0.06
    15   1    -0.05   0.01  -0.26    -0.18  -0.11   0.01    -0.13   0.27   0.06
    16   1     0.01   0.11  -0.46     0.00   0.01   0.17    -0.07  -0.33  -0.04
    17   1    -0.07  -0.02   0.21    -0.17   0.05  -0.03    -0.04   0.28   0.06
    18   1     0.10   0.11  -0.46     0.18  -0.02   0.16     0.14  -0.32  -0.02
    19   1     0.03   0.02  -0.25    -0.05  -0.15   0.01     0.06   0.28   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0894               771.8462               778.9327
 Red. masses --      1.7591                 2.3856                 2.4142
 Frc consts  --      0.5285                 0.8373                 0.8630
 IR Inten    --     43.4969                25.5991                 7.1912
 RamAct Fr= 1--      0.1357                 8.3613                 8.2268
  Dep-P Fr= 1--      0.2817                 0.0328                 0.0668
  Dep-U Fr= 1--      0.4395                 0.0635                 0.1252
 Alpha2 Fr= 1--      0.0015                 0.1720                 0.1561
 Beta2  Fr= 1--      0.0099                 0.0884                 0.1717
 AlphaG Fr= 1--      0.0014                -0.0422                 0.0131
 Gamma2 Fr= 1--     -0.0014                 0.6211                 0.8155
 Delta2 Fr= 1--     -0.0066                 0.2712                 0.1855
 Raman1 Fr= 1--       0.543                 33.445                 32.907
 ROA1   Fr= 1--      -0.348                 68.302                 84.221
 CID1   Fr= 1--      -0.640                  2.042                  2.559
 Raman2 Fr= 1--       0.119                  1.061                  2.061
 ROA2   Fr= 1--       0.018                 12.736                 18.087
 CID2   Fr= 1--       0.153                 11.999                  8.778
 Raman3 Fr= 1--       0.239                  2.123                  4.121
 ROA3   Fr= 1--      -0.348                 68.302                 84.221
 CID3   Fr= 1--      -1.457                 32.177                 20.436
 RC180  Fr= 1--      -0.121                 -0.873                 -0.750
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.00  -0.02   0.00    -0.02   0.04  -0.01
     2   6     0.00  -0.00   0.00     0.06   0.05   0.06    -0.10  -0.08  -0.08
     3   1     0.00   0.00   0.01     0.01  -0.12   0.03    -0.03   0.16  -0.04
     4   1    -0.02  -0.01   0.02     0.15   0.03   0.06    -0.03   0.03  -0.20
     5   6    -0.00  -0.00   0.00     0.05   0.05  -0.07    -0.05  -0.04   0.02
     6   6     0.01   0.03  -0.10    -0.06  -0.05   0.17     0.04  -0.03   0.14
     7   1    -0.02  -0.01   0.00     0.06   0.03  -0.15     0.07   0.05   0.15
     8   1     0.00   0.00  -0.03     0.07   0.02  -0.15    -0.09  -0.04   0.41
     9   1    -0.03  -0.01   0.02    -0.00  -0.03   0.01     0.22   0.14  -0.20
    10   6    -0.01  -0.01   0.07    -0.02  -0.08  -0.10     0.04   0.12  -0.02
    11   6     0.01   0.04  -0.14    -0.04  -0.09  -0.02     0.05   0.12   0.04
    12   6    -0.01  -0.02   0.07     0.09   0.04  -0.11    -0.09   0.01  -0.10
    13   6     0.01   0.03  -0.14    -0.05   0.08   0.03     0.05  -0.09  -0.02
    14   6    -0.01  -0.02   0.07    -0.03   0.07  -0.07     0.05  -0.06  -0.07
    15   1    -0.05  -0.10   0.48     0.01  -0.07   0.01    -0.02   0.08  -0.01
    16   1    -0.01  -0.05   0.19    -0.22  -0.15   0.44     0.17  -0.03   0.35
    17   1    -0.06  -0.14   0.55     0.03  -0.09   0.48    -0.13  -0.12   0.35
    18   1    -0.02  -0.06   0.21    -0.18  -0.10   0.46     0.13  -0.11   0.37
    19   1    -0.05  -0.13   0.50     0.02   0.01   0.06    -0.03  -0.06   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    859.6268               906.9440               927.8562
 Red. masses --      1.2499                 2.3304                 1.4043
 Frc consts  --      0.5442                 1.1294                 0.7123
 IR Inten    --      0.1331                19.8627                 4.2069
 RamAct Fr= 1--      1.4120                 4.1790                 1.2596
  Dep-P Fr= 1--      0.6512                 0.7357                 0.4217
  Dep-U Fr= 1--      0.7888                 0.8477                 0.5933
 Alpha2 Fr= 1--      0.0025                 0.0010                 0.0086
 Beta2  Fr= 1--      0.1856                 0.5904                 0.1245
 AlphaG Fr= 1--     -0.0002                -0.0058                -0.0134
 Gamma2 Fr= 1--     -0.2707                -1.3290                -1.2519
 Delta2 Fr= 1--     -0.1154                -1.2423                 0.1644
 Raman1 Fr= 1--       5.648                 16.716                  5.038
 ROA1   Fr= 1--     -29.677               -167.341               -114.918
 CID1   Fr= 1--      -5.254                -10.011                -22.809
 Raman2 Fr= 1--       2.228                  7.085                  1.495
 ROA2   Fr= 1--      -5.572                -21.958                -31.360
 CID2   Fr= 1--      -2.502                 -3.099                -20.983
 Raman3 Fr= 1--       4.455                 14.171                  2.989
 ROA3   Fr= 1--     -29.677               -167.341               -114.918
 CID3   Fr= 1--      -6.661                -11.809                -38.446
 RC180  Fr= 1--       0.578                  0.695                  0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.05   0.14  -0.06     0.01  -0.02   0.01
     2   6     0.00  -0.00   0.00     0.16  -0.05  -0.07    -0.01   0.01  -0.01
     3   1    -0.00  -0.00  -0.00    -0.03  -0.10   0.06     0.01   0.01  -0.01
     4   1     0.00   0.01  -0.00     0.25   0.13  -0.24    -0.09  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.01  -0.14   0.13     0.00   0.01   0.01
     6   6     0.00  -0.00   0.00     0.04   0.01   0.00    -0.00   0.01  -0.07
     7   1    -0.01  -0.00   0.01    -0.34  -0.13   0.67    -0.01  -0.02  -0.05
     8   1     0.00   0.00  -0.01    -0.05   0.20   0.03     0.02  -0.01  -0.09
     9   1    -0.00  -0.00  -0.00    -0.01   0.18  -0.16    -0.07  -0.05   0.08
    10   6    -0.01  -0.02   0.06    -0.01  -0.04  -0.00    -0.01  -0.01   0.08
    11   6    -0.01  -0.02   0.08    -0.03  -0.06  -0.02     0.00   0.00   0.03
    12   6     0.00  -0.00   0.01     0.03   0.01  -0.01     0.01   0.02  -0.10
    13   6     0.01   0.02  -0.07    -0.05   0.05   0.00     0.01   0.00  -0.03
    14   6     0.01   0.02  -0.08    -0.02   0.02   0.02    -0.01  -0.03   0.11
    15   1     0.04   0.10  -0.43    -0.01  -0.04  -0.08     0.04   0.11  -0.42
    16   1     0.05   0.12  -0.51    -0.10  -0.03  -0.00     0.03   0.05  -0.19
    17   1     0.01   0.02  -0.07     0.02  -0.03   0.09    -0.06  -0.14   0.58
    18   1    -0.05  -0.12   0.45    -0.11   0.02   0.01    -0.00  -0.04   0.13
    19   1    -0.05  -0.13   0.51    -0.01   0.05  -0.07     0.06   0.14  -0.55
                     19                     20                     21
                      A                      A                      A
 Frequencies --    963.9874               984.8874              1020.1609
 Red. masses --      1.3182                 1.2729                 2.0420
 Frc consts  --      0.7217                 0.7275                 1.2521
 IR Inten    --      0.0681                 0.9658                 6.3733
 RamAct Fr= 1--      0.0404                 0.3490                23.4439
  Dep-P Fr= 1--      0.6953                 0.1801                 0.1471
  Dep-U Fr= 1--      0.8202                 0.3052                 0.2565
 Alpha2 Fr= 1--      0.0000                 0.0050                 0.3651
 Beta2  Fr= 1--      0.0055                 0.0178                 1.0021
 AlphaG Fr= 1--      0.0010                 0.0011                -0.0498
 Gamma2 Fr= 1--      0.1908                 0.4008                 2.9008
 Delta2 Fr= 1--     -0.0577                -0.1681                 2.8085
 Raman1 Fr= 1--       0.162                  1.396                 93.776
 ROA1   Fr= 1--      16.472                 33.100                368.344
 CID1   Fr= 1--     101.913                 23.710                  3.928
 Raman2 Fr= 1--       0.066                  0.213                 12.025
 ROA2   Fr= 1--       5.041                 10.964                 47.151
 CID2   Fr= 1--      76.057                 51.459                  3.921
 Raman3 Fr= 1--       0.133                  0.426                 24.051
 ROA3   Fr= 1--      16.472                 33.100                368.344
 CID3   Fr= 1--     124.248                 77.675                 15.315
 RC180  Fr= 1--       0.640                 -0.390                 -0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.08   0.02
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.04   0.14  -0.08
     3   1     0.00  -0.01   0.00     0.00   0.00  -0.01     0.06  -0.30   0.10
     4   1     0.02   0.00  -0.01    -0.03  -0.01   0.01     0.28   0.18  -0.20
     5   6    -0.01  -0.00   0.00     0.00   0.00   0.01    -0.15   0.00   0.04
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.05   0.03  -0.02
     7   1     0.01   0.01  -0.00    -0.01  -0.01  -0.01     0.26   0.12  -0.16
     8   1    -0.01  -0.00   0.03     0.01  -0.00  -0.04    -0.17  -0.22   0.62
     9   1     0.01   0.01  -0.01    -0.03  -0.01   0.03     0.19  -0.05   0.02
    10   6     0.01   0.01  -0.07    -0.01  -0.01   0.09     0.06  -0.10  -0.00
    11   6    -0.00  -0.01   0.03     0.01   0.03  -0.10    -0.03  -0.04  -0.02
    12   6    -0.01  -0.01   0.06     0.00  -0.01   0.06    -0.09   0.01  -0.01
    13   6     0.01   0.03  -0.11     0.00   0.01  -0.03    -0.01   0.02   0.00
    14   6    -0.01  -0.02   0.07    -0.00  -0.00   0.00     0.03   0.06   0.02
    15   1    -0.03  -0.08   0.34     0.04   0.13  -0.57     0.08  -0.08  -0.08
    16   1     0.01   0.03  -0.12    -0.06  -0.15   0.63    -0.08  -0.03  -0.01
    17   1     0.03   0.09  -0.36     0.04   0.09  -0.37    -0.10   0.06   0.03
    18   1    -0.06  -0.16   0.65    -0.02  -0.06   0.21     0.01   0.04  -0.01
    19   1     0.04   0.12  -0.47     0.01   0.02  -0.09    -0.01   0.08   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.6378              1054.6141              1090.9288
 Red. masses --      4.7182                 2.1823                 1.7555
 Frc consts  --      2.9300                 1.4300                 1.2309
 IR Inten    --      1.2324                 5.9732                29.0194
 RamAct Fr= 1--     35.1032                19.1852                 0.4315
  Dep-P Fr= 1--      0.0456                 0.0297                 0.7025
  Dep-U Fr= 1--      0.0873                 0.0577                 0.8253
 Alpha2 Fr= 1--      0.7006                 0.3976                 0.0004
 Beta2  Fr= 1--      0.5106                 0.1846                 0.0593
 AlphaG Fr= 1--      0.0504                 0.0279                -0.0018
 Gamma2 Fr= 1--     -1.6182                -0.2754                -0.6401
 Delta2 Fr= 1--     -0.6930                -0.2123                -0.6295
 Raman1 Fr= 1--     140.413                 76.741                  1.726
 ROA1   Fr= 1--    -177.522                -33.237                -81.592
 CID1   Fr= 1--      -1.264                 -0.433                -47.275
 Raman2 Fr= 1--       6.128                  2.216                  0.712
 ROA2   Fr= 1--     -33.292                 -4.912                -10.325
 CID2   Fr= 1--      -5.433                 -2.217                -14.499
 Raman3 Fr= 1--      12.255                  4.431                  1.424
 ROA3   Fr= 1--    -177.522                -33.237                -81.592
 CID3   Fr= 1--     -14.485                 -7.501                -57.285
 RC180  Fr= 1--      -0.825                 -0.885                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.05   0.01    -0.01   0.01  -0.00     0.01  -0.05  -0.00
     2   6     0.04   0.09  -0.05    -0.01  -0.03   0.01    -0.05   0.08   0.07
     3   1     0.05  -0.21   0.07    -0.01   0.05  -0.02    -0.01   0.23  -0.07
     4   1     0.15   0.14  -0.13    -0.07  -0.06   0.05     0.10   0.14  -0.02
     5   6    -0.09   0.00   0.03     0.01   0.01  -0.01     0.04  -0.07  -0.04
     6   6     0.04   0.02  -0.01     0.02  -0.00   0.00    -0.04   0.06  -0.01
     7   1     0.16   0.08  -0.09     0.01   0.00  -0.05    -0.10  -0.02   0.27
     8   1    -0.10  -0.14   0.38     0.01  -0.01  -0.03     0.00   0.19  -0.04
     9   1     0.11  -0.04   0.02    -0.01  -0.01   0.01     0.07   0.18  -0.27
    10   6    -0.18   0.24   0.04     0.03   0.08   0.02     0.09  -0.03   0.01
    11   6    -0.03  -0.06  -0.01    -0.00  -0.18  -0.04    -0.04  -0.05  -0.02
    12   6     0.31   0.04   0.04    -0.13  -0.02  -0.02    -0.02   0.07   0.02
    13   6    -0.03   0.04   0.01    -0.05   0.18   0.04     0.07  -0.05  -0.00
    14   6    -0.13  -0.29  -0.09     0.06  -0.06  -0.01    -0.08  -0.07  -0.02
    15   1    -0.17   0.26   0.07     0.31   0.27   0.09     0.38   0.17   0.04
    16   1    -0.04  -0.04  -0.05     0.35  -0.35  -0.04    -0.18   0.01  -0.01
    17   1     0.32   0.06   0.07    -0.14  -0.04  -0.03    -0.06   0.46   0.11
    18   1    -0.01   0.05  -0.01     0.24   0.40   0.13     0.28   0.09   0.05
    19   1    -0.11  -0.31  -0.07     0.39  -0.20  -0.02    -0.31   0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.4884              1131.5845              1184.3171
 Red. masses --      2.4706                 1.9450                 1.1219
 Frc consts  --      1.7501                 1.4673                 0.9271
 IR Inten    --     22.9952                31.1954                 0.5690
 RamAct Fr= 1--     14.4298                 0.5360                 3.5744
  Dep-P Fr= 1--      0.1865                 0.7440                 0.7262
  Dep-U Fr= 1--      0.3144                 0.8532                 0.8414
 Alpha2 Fr= 1--      0.2031                 0.0001                 0.0015
 Beta2  Fr= 1--      0.7560                 0.0762                 0.5012
 AlphaG Fr= 1--      0.0990                 0.0019                -0.0003
 Gamma2 Fr= 1--     -0.4282                -0.5897                 0.0556
 Delta2 Fr= 1--     -0.5927                -0.1662                 0.1071
 Raman1 Fr= 1--      57.719                  2.144                 14.298
 ROA1   Fr= 1--     -60.072                -61.930                  8.761
 CID1   Fr= 1--      -1.041                -28.887                  0.613
 Raman2 Fr= 1--       9.072                  0.915                  6.015
 ROA2   Fr= 1--      -5.535                -12.823                  0.477
 CID2   Fr= 1--      -0.610                -14.020                  0.079
 Raman3 Fr= 1--      18.144                  1.829                 12.030
 ROA3   Fr= 1--     -60.072                -61.930                  8.761
 CID3   Fr= 1--      -3.311                -33.856                  0.728
 RC180  Fr= 1--      -0.371                  0.706                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03   0.07  -0.03     0.03  -0.10  -0.00    -0.00  -0.00   0.00
     2   6     0.02  -0.11   0.25    -0.06   0.19   0.05    -0.00  -0.01  -0.01
     3   1    -0.04   0.11  -0.03     0.01   0.15  -0.06    -0.01   0.07  -0.02
     4   1     0.24  -0.04   0.15     0.02   0.31  -0.10     0.02  -0.02   0.00
     5   6    -0.06  -0.02  -0.16     0.04  -0.08  -0.02     0.00   0.01   0.00
     6   6     0.07   0.02  -0.08    -0.04  -0.01  -0.01     0.02   0.01   0.00
     7   1     0.26   0.16  -0.05    -0.13  -0.04   0.34    -0.00  -0.00  -0.02
     8   1    -0.10  -0.02   0.41    -0.00   0.23  -0.04     0.00  -0.01  -0.01
     9   1     0.42   0.18  -0.45     0.02   0.19  -0.25    -0.01  -0.01   0.02
    10   6    -0.02  -0.01   0.02    -0.08   0.00  -0.01    -0.00  -0.01  -0.00
    11   6    -0.01  -0.01  -0.00     0.04   0.04   0.01     0.04  -0.03  -0.00
    12   6     0.02  -0.01  -0.00    -0.01  -0.05  -0.01    -0.01   0.07   0.02
    13   6    -0.04   0.02   0.00    -0.02   0.02   0.00    -0.04  -0.02  -0.01
    14   6     0.01   0.01   0.03     0.07   0.01   0.01     0.01  -0.01  -0.00
    15   1    -0.16  -0.09  -0.16    -0.31  -0.15  -0.06    -0.16  -0.12  -0.04
    16   1    -0.02   0.00  -0.00     0.24  -0.05   0.01     0.43  -0.20  -0.01
    17   1     0.03  -0.10  -0.01     0.03  -0.34  -0.08    -0.07   0.66   0.15
    18   1    -0.11  -0.03  -0.03    -0.09  -0.02  -0.01    -0.39  -0.26  -0.10
    19   1     0.03   0.04  -0.08     0.41  -0.13  -0.01     0.13  -0.06  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1196.1230              1206.7034              1249.7169
 Red. masses --      1.5091                 1.3240                 1.4066
 Frc consts  --      1.2721                 1.1359                 1.2943
 IR Inten    --     43.2589                17.9918                 6.8103
 RamAct Fr= 1--     11.0225                 5.5871                13.0959
  Dep-P Fr= 1--      0.1227                 0.5151                 0.1248
  Dep-U Fr= 1--      0.2186                 0.6800                 0.2220
 Alpha2 Fr= 1--      0.1825                 0.0257                 0.2157
 Beta2  Fr= 1--      0.4015                 0.6332                 0.4845
 AlphaG Fr= 1--      0.0218                 0.0044                -0.1299
 Gamma2 Fr= 1--      0.8637                -0.1790                -0.9916
 Delta2 Fr= 1--      0.4018                -0.2247                 0.0493
 Raman1 Fr= 1--      44.090                 22.348                 52.383
 ROA1   Fr= 1--      95.776                -24.374                -93.614
 CID1   Fr= 1--       2.172                 -1.091                 -1.787
 Raman2 Fr= 1--       4.818                  7.598                  5.814
 ROA2   Fr= 1--      17.515                 -2.498                -24.191
 CID2   Fr= 1--       3.635                 -0.329                 -4.161
 Raman3 Fr= 1--       9.636                 15.197                 11.628
 ROA3   Fr= 1--      95.776                -24.374                -93.614
 CID3   Fr= 1--       9.939                 -1.604                 -8.051
 RC180  Fr= 1--      -0.563                  0.360                 -0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.04   0.02     0.02   0.03  -0.01    -0.02   0.01   0.02
     2   6    -0.05  -0.00  -0.04     0.03  -0.00   0.02     0.05  -0.03  -0.02
     3   1    -0.07   0.56  -0.19     0.05  -0.37   0.12    -0.05   0.42  -0.12
     4   1     0.06  -0.04  -0.04    -0.06   0.04   0.01     0.75  -0.18  -0.06
     5   6     0.01   0.01   0.02    -0.00  -0.01  -0.01    -0.01   0.03   0.03
     6   6     0.17   0.03   0.03    -0.10  -0.02  -0.02    -0.12   0.07  -0.01
     7   1    -0.03  -0.02  -0.02     0.01   0.01   0.01     0.03   0.01  -0.10
     8   1     0.02  -0.01  -0.05    -0.01  -0.00   0.02     0.01  -0.06  -0.02
     9   1    -0.07  -0.04   0.09     0.03   0.01  -0.04    -0.01  -0.07   0.12
    10   6    -0.01  -0.02  -0.01    -0.05  -0.02  -0.01    -0.04  -0.04  -0.01
    11   6    -0.02  -0.06  -0.02     0.07   0.00   0.01     0.05   0.01   0.01
    12   6     0.02  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.02   0.00
    13   6    -0.02   0.05   0.01     0.06   0.01   0.01     0.01  -0.04  -0.01
    14   6    -0.01   0.01   0.00    -0.06   0.02   0.00    -0.00  -0.03  -0.01
    15   1    -0.40  -0.31  -0.10    -0.26  -0.17  -0.07    -0.02  -0.02  -0.02
    16   1     0.05  -0.09  -0.02     0.52  -0.20   0.00     0.04   0.02   0.01
    17   1     0.03  -0.07  -0.01    -0.01   0.04   0.01     0.01  -0.07  -0.01
    18   1     0.16   0.18   0.06     0.43   0.25   0.11     0.20   0.08   0.04
    19   1    -0.44   0.21   0.02    -0.34   0.14   0.00     0.24  -0.15  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1343.1258              1357.5819              1360.9025
 Red. masses --      3.6152                 1.3240                 1.3670
 Frc consts  --      3.8425                 1.4377                 1.4917
 IR Inten    --      2.7694                10.5122                 9.9445
 RamAct Fr= 1--      1.4758                 8.9323                 2.4188
  Dep-P Fr= 1--      0.4429                 0.3697                 0.2437
  Dep-U Fr= 1--      0.6139                 0.5398                 0.3918
 Alpha2 Fr= 1--      0.0093                 0.0735                 0.0292
 Beta2  Fr= 1--      0.1510                 0.8036                 0.1580
 AlphaG Fr= 1--      0.0244                -0.0149                 0.0009
 Gamma2 Fr= 1--     -0.6507                -2.3267                 1.0952
 Delta2 Fr= 1--     -0.5200                 0.3792                -0.4887
 Raman1 Fr= 1--       5.903                 35.729                  9.675
 ROA1   Fr= 1--     -79.110               -211.231                 89.503
 CID1   Fr= 1--     -13.401                 -5.912                  9.251
 Raman2 Fr= 1--       1.812                  9.643                  1.896
 ROA2   Fr= 1--     -11.457                -58.875                 30.195
 CID2   Fr= 1--      -6.323                 -6.106                 15.930
 Raman3 Fr= 1--       3.624                 19.286                  3.791
 ROA3   Fr= 1--     -79.110               -211.231                 89.503
 CID3   Fr= 1--     -21.830                -10.953                 23.609
 RC180  Fr= 1--       0.228                  0.080                 -0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03   0.03  -0.00     0.00  -0.01  -0.02     0.02   0.01  -0.01
     2   6    -0.05   0.00  -0.03    -0.04  -0.08   0.07    -0.04  -0.04   0.02
     3   1     0.05  -0.36   0.11     0.01  -0.07   0.02     0.03  -0.20   0.06
     4   1    -0.39  -0.31   0.33     0.08   0.65  -0.63    -0.06   0.17  -0.17
     5   6     0.01  -0.02  -0.02     0.02   0.06   0.03     0.02   0.01   0.01
     6   6     0.02   0.24   0.07     0.01   0.02  -0.01     0.01   0.08   0.02
     7   1    -0.06  -0.03   0.06    -0.04  -0.02  -0.13    -0.04  -0.02  -0.04
     8   1    -0.01   0.01   0.04     0.06  -0.09  -0.14     0.02  -0.02  -0.04
     9   1     0.00   0.05  -0.09    -0.04  -0.04   0.12    -0.04   0.01   0.02
    10   6    -0.12  -0.09  -0.03    -0.04  -0.02  -0.01     0.09   0.04   0.02
    11   6     0.16  -0.10  -0.01     0.03  -0.01   0.00    -0.00  -0.02  -0.01
    12   6    -0.02   0.17   0.04    -0.01   0.05   0.01     0.01  -0.07  -0.02
    13   6    -0.16  -0.10  -0.04    -0.03  -0.01  -0.00    -0.00  -0.01  -0.00
    14   6     0.17  -0.08  -0.01     0.05  -0.02   0.00    -0.08   0.01  -0.00
    15   1    -0.08  -0.06  -0.02     0.13   0.10   0.03    -0.43  -0.33  -0.11
    16   1    -0.35   0.12  -0.01     0.02  -0.01  -0.00    -0.33   0.12  -0.01
    17   1     0.02  -0.16  -0.04     0.01  -0.09  -0.02    -0.03   0.29   0.07
    18   1     0.21   0.15   0.07    -0.05  -0.02  -0.01     0.24   0.15   0.06
    19   1    -0.04   0.02   0.01    -0.14   0.08  -0.01     0.45  -0.22  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1403.8523              1418.7476              1487.4354
 Red. masses --      1.2685                 1.4787                 1.3616
 Frc consts  --      1.4729                 1.7536                 1.7749
 IR Inten    --     12.5040                11.8986                15.9115
 RamAct Fr= 1--      1.3708                 3.3506                 1.9567
  Dep-P Fr= 1--      0.4287                 0.2968                 0.7492
  Dep-U Fr= 1--      0.6001                 0.4577                 0.8566
 Alpha2 Fr= 1--      0.0091                 0.0347                 0.0000
 Beta2  Fr= 1--      0.1371                 0.2556                 0.2794
 AlphaG Fr= 1--      0.0053                 0.0147                -0.0002
 Gamma2 Fr= 1--     -0.0517                 0.6660                 1.6829
 Delta2 Fr= 1--     -0.0517                 0.4496                -0.9886
 Raman1 Fr= 1--       5.483                 13.402                  7.827
 ROA1   Fr= 1--      -6.616                 78.321                129.927
 CID1   Fr= 1--      -1.207                  5.844                 16.601
 Raman2 Fr= 1--       1.645                  3.067                  3.352
 ROA2   Fr= 1--      -0.827                 12.387                 48.299
 CID2   Fr= 1--      -0.503                  4.039                 14.408
 Raman3 Fr= 1--       3.290                  6.134                  6.705
 ROA3   Fr= 1--      -6.616                 78.321                129.927
 CID3   Fr= 1--      -2.011                 12.768                 19.379
 RC180  Fr= 1--       0.200                 -0.085                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.01  -0.00     0.03   0.04  -0.00     0.01   0.00  -0.00
     2   6    -0.05  -0.00   0.01    -0.17   0.01  -0.00    -0.01   0.00  -0.00
     3   1     0.02  -0.10   0.03     0.06  -0.43   0.15     0.01  -0.05   0.01
     4   1     0.17  -0.05  -0.00     0.59  -0.26   0.05    -0.08  -0.02   0.04
     5   6     0.07   0.04  -0.12     0.05  -0.02   0.04    -0.02   0.04   0.01
     6   6     0.01  -0.00  -0.01     0.05  -0.00  -0.01    -0.01   0.08   0.02
     7   1    -0.35   0.02   0.46    -0.09  -0.16  -0.26    -0.25  -0.02   0.20
     8   1     0.01  -0.15   0.50     0.03   0.08  -0.10     0.08  -0.49  -0.28
     9   1    -0.30  -0.35   0.34    -0.18   0.27  -0.18     0.52  -0.08  -0.03
    10   6     0.00  -0.00   0.00     0.02   0.01   0.01     0.06  -0.02   0.00
    11   6    -0.01   0.00   0.00    -0.04  -0.00  -0.00    -0.07  -0.02  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.06   0.01
    13   6     0.01   0.01   0.00     0.02   0.03   0.01     0.08   0.01   0.01
    14   6    -0.00  -0.00   0.00     0.01  -0.02  -0.00    -0.04  -0.04  -0.01
    15   1     0.02   0.01  -0.01    -0.02  -0.03  -0.02    -0.08  -0.12  -0.03
    16   1     0.02  -0.01  -0.00     0.05  -0.05  -0.01     0.15  -0.12  -0.02
    17   1     0.00  -0.02  -0.01     0.01  -0.10  -0.02     0.03  -0.33  -0.08
    18   1    -0.03  -0.02  -0.01    -0.15  -0.08  -0.04    -0.17  -0.17  -0.06
    19   1    -0.01   0.01  -0.01    -0.12   0.04  -0.01     0.04  -0.08  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.9070              1497.1900              1536.1089
 Red. masses --      1.2745                 1.2342                 2.2488
 Frc consts  --      1.6691                 1.6300                 3.1264
 IR Inten    --      1.8942                 1.6597                 9.5742
 RamAct Fr= 1--      6.3028                 3.1972                 0.4032
  Dep-P Fr= 1--      0.6388                 0.5105                 0.6035
  Dep-U Fr= 1--      0.7796                 0.6759                 0.7527
 Alpha2 Fr= 1--      0.0127                 0.0150                 0.0011
 Beta2  Fr= 1--      0.8189                 0.3602                 0.0506
 AlphaG Fr= 1--      0.0474                -0.0176                 0.0025
 Gamma2 Fr= 1--      2.9725                -3.1464                -0.0699
 Delta2 Fr= 1--     -0.5317                 0.4027                 0.0587
 Raman1 Fr= 1--      25.211                 12.789                  1.613
 ROA1   Fr= 1--     268.345               -289.171                 -4.833
 CID1   Fr= 1--      10.644                -22.611                 -2.997
 Raman2 Fr= 1--       9.827                  4.322                  0.607
 ROA2   Fr= 1--      75.593                -78.736                 -2.147
 CID2   Fr= 1--       7.692                -18.216                 -3.538
 Raman3 Fr= 1--      19.655                  8.645                  1.214
 ROA3   Fr= 1--     268.345               -289.171                 -4.833
 CID3   Fr= 1--      13.653                -33.451                 -3.981
 RC180  Fr= 1--       0.559                  0.352                  0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.01  -0.00     0.01   0.01   0.00     0.00   0.01  -0.00
     2   6    -0.01  -0.04  -0.01    -0.07   0.02  -0.00    -0.05  -0.00  -0.00
     3   1     0.01  -0.06   0.02     0.02  -0.13   0.04     0.01  -0.07   0.02
     4   1    -0.04   0.03  -0.06     0.25  -0.09   0.00     0.01  -0.03   0.00
     5   6    -0.01  -0.04  -0.02    -0.04   0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.01   0.07   0.02     0.01  -0.05  -0.02     0.14   0.02   0.02
     7   1     0.50   0.25   0.11     0.24   0.24   0.40     0.05   0.05   0.08
     8   1    -0.08   0.58  -0.02     0.01   0.06  -0.42     0.00   0.02  -0.12
     9   1    -0.20  -0.21   0.20     0.43  -0.33   0.19     0.10  -0.06   0.03
    10   6     0.05  -0.01   0.00    -0.02   0.03   0.01    -0.05  -0.10  -0.03
    11   6    -0.05  -0.02  -0.01     0.05  -0.00   0.00    -0.13   0.09   0.01
    12   6    -0.01   0.06   0.01    -0.00  -0.05  -0.01     0.11   0.01   0.01
    13   6     0.06   0.00   0.01    -0.04   0.02   0.00    -0.10  -0.11  -0.04
    14   6    -0.03  -0.03  -0.01     0.05   0.01   0.01    -0.07   0.09   0.01
    15   1    -0.06  -0.10  -0.03    -0.02   0.04   0.01     0.37   0.18   0.07
    16   1     0.11  -0.10  -0.01    -0.15   0.09   0.01     0.46  -0.16   0.01
    17   1     0.03  -0.28  -0.06    -0.03   0.21   0.05     0.13  -0.00   0.01
    18   1    -0.13  -0.14  -0.05     0.03   0.07   0.02     0.40   0.22   0.10
    19   1     0.03  -0.07  -0.01    -0.12   0.08   0.01     0.42  -0.12   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1631.1214              1652.1882              2977.4202
 Red. masses --      5.6125                 5.5688                 1.0833
 Frc consts  --      8.7979                 8.9563                 5.6584
 IR Inten    --      0.5345                 3.6393                39.9009
 RamAct Fr= 1--      7.9621                34.7328               112.7000
  Dep-P Fr= 1--      0.7217                 0.6354                 0.2337
  Dep-U Fr= 1--      0.8384                 0.7770                 0.3789
 Alpha2 Fr= 1--      0.0039                 0.0721                 1.3974
 Beta2  Fr= 1--      1.1125                 4.4982                 7.1167
 AlphaG Fr= 1--      0.0269                 0.0326                 1.6688
 Gamma2 Fr= 1--     -0.7261                 0.6869                10.5505
 Delta2 Fr= 1--      0.0555                -0.1804                 4.3249
 Raman1 Fr= 1--      31.848                138.931                450.800
 ROA1   Fr= 1--     -67.934                 60.173               1151.244
 CID1   Fr= 1--      -2.133                  0.433                  2.554
 Raman2 Fr= 1--      13.350                 53.978                 85.400
 ROA2   Fr= 1--     -17.871                 17.929                218.612
 CID2   Fr= 1--      -1.339                  0.332                  2.560
 Raman3 Fr= 1--      26.701                107.956                170.800
 ROA3   Fr= 1--     -67.934                 60.173               1151.244
 CID3   Fr= 1--      -2.544                  0.557                  6.740
 RC180  Fr= 1--       0.677                  0.554                 -0.242
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.01   0.04   0.01     0.04   0.00   0.01    -0.02  -0.05  -0.06
     3   1    -0.01   0.03  -0.01    -0.00   0.04  -0.01     0.00  -0.00   0.00
     4   1     0.20  -0.03   0.00     0.00   0.03  -0.02     0.18   0.66   0.72
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     6   6     0.02  -0.30  -0.07    -0.23  -0.01  -0.02     0.00  -0.00  -0.00
     7   1    -0.01  -0.00   0.02    -0.02  -0.01  -0.01     0.02  -0.03   0.01
     8   1     0.00  -0.01  -0.02    -0.00  -0.01   0.05    -0.07  -0.01  -0.01
     9   1     0.01   0.00  -0.00    -0.03   0.00   0.00    -0.01  -0.04  -0.04
    10   6     0.09   0.20   0.06     0.28   0.10   0.05     0.00   0.00  -0.00
    11   6     0.08  -0.19  -0.04    -0.27   0.05  -0.01     0.00  -0.00  -0.00
    12   6    -0.03   0.35   0.08     0.14  -0.01   0.01     0.00   0.00   0.00
    13   6    -0.06  -0.21  -0.06    -0.26  -0.08  -0.05    -0.00  -0.00   0.00
    14   6    -0.11   0.17   0.03     0.31  -0.07   0.01     0.00   0.00   0.00
    15   1    -0.30  -0.06  -0.04    -0.27  -0.29  -0.09    -0.00   0.00   0.00
    16   1    -0.23  -0.07  -0.04     0.26  -0.19  -0.02     0.00   0.00   0.00
    17   1     0.06  -0.47  -0.11     0.14   0.04   0.03     0.00   0.00  -0.00
    18   1     0.26  -0.01   0.02     0.19   0.24   0.08    -0.00   0.00  -0.00
    19   1     0.29   0.01   0.03    -0.36   0.23   0.03    -0.01  -0.01  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3022.6500              3088.7265              3111.4041
 Red. masses --      1.0384                 1.0970                 1.1026
 Frc consts  --      5.5896                 6.1663                 6.2887
 IR Inten    --     34.0758                32.9505                16.6192
 RamAct Fr= 1--    244.1864                87.2644                35.5422
  Dep-P Fr= 1--      0.0691                 0.7482                 0.7128
  Dep-U Fr= 1--      0.1292                 0.8559                 0.8323
 Alpha2 Fr= 1--      4.6083                 0.0027                 0.0229
 Beta2  Fr= 1--      5.2592                12.4490                 4.9306
 AlphaG Fr= 1--     -0.2545                -0.0017                -0.0591
 Gamma2 Fr= 1--     -0.0212                -2.7132                -2.1100
 Delta2 Fr= 1--      0.1335                -0.0371                -2.4961
 Raman1 Fr= 1--     976.746                349.057                142.169
 ROA1   Fr= 1--       2.233               -261.657               -282.433
 CID1   Fr= 1--       0.002                 -0.750                 -1.987
 Raman2 Fr= 1--      63.111                149.388                 59.167
 ROA2   Fr= 1--      -1.578                -64.821                -30.671
 CID2   Fr= 1--      -0.025                 -0.434                 -0.518
 Raman3 Fr= 1--     126.222                298.776                118.333
 ROA3   Fr= 1--       2.233               -261.657               -282.433
 CID3   Fr= 1--       0.018                 -0.876                 -2.387
 RC180  Fr= 1--      -0.742                  0.712                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
     3   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   1     0.01   0.02   0.03     0.01   0.03   0.04     0.01   0.05   0.06
     5   6    -0.04  -0.01   0.03    -0.08   0.01  -0.05     0.01  -0.09  -0.03
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.18   0.37  -0.11     0.22  -0.51   0.14    -0.29   0.61  -0.19
     8   1     0.76   0.09   0.09     0.61   0.08   0.06     0.04  -0.01  -0.00
     9   1    -0.09  -0.32  -0.34     0.08   0.36   0.38     0.13   0.46   0.51
    10   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3155.9405              3168.7983              3179.3961
 Red. masses --      1.0869                 1.0866                 1.0913
 Frc consts  --      6.3782                 6.4283                 6.4994
 IR Inten    --      8.9638                 0.6342                22.8144
 RamAct Fr= 1--     55.0859               104.1616                80.5827
  Dep-P Fr= 1--      0.4640                 0.6074                 0.7316
  Dep-U Fr= 1--      0.6338                 0.7558                 0.8450
 Alpha2 Fr= 1--      0.3189                 0.2738                 0.0253
 Beta2  Fr= 1--      5.8192                13.1201                11.3490
 AlphaG Fr= 1--     -0.1571                -0.0420                -0.0319
 Gamma2 Fr= 1--     -1.0667                 0.9609                -0.8397
 Delta2 Fr= 1--      0.4026                 0.5373                 0.5782
 Raman1 Fr= 1--     220.344                416.646                322.331
 ROA1   Fr= 1--     -89.519                109.441                -62.107
 CID1   Fr= 1--      -0.406                  0.263                 -0.193
 Raman2 Fr= 1--      69.831                157.442                136.188
 ROA2   Fr= 1--     -28.822                 18.763                -24.777
 CID2   Fr= 1--      -0.413                  0.119                 -0.182
 Raman3 Fr= 1--     139.662                314.883                272.377
 ROA3   Fr= 1--     -89.519                109.441                -62.107
 CID3   Fr= 1--      -0.641                  0.348                 -0.228
 RC180  Fr= 1--       0.268                  0.512                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   1     0.01   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    11   6    -0.00  -0.01  -0.00     0.02   0.05   0.01    -0.02  -0.05  -0.01
    12   6     0.01   0.00   0.00    -0.05  -0.01  -0.01    -0.02   0.00  -0.00
    13   6    -0.02   0.03   0.01     0.01  -0.02  -0.00     0.04  -0.05  -0.01
    14   6    -0.03  -0.07  -0.02    -0.01  -0.02  -0.01    -0.01  -0.02  -0.01
    15   1     0.01  -0.02  -0.00    -0.09   0.12   0.02     0.09  -0.13  -0.02
    16   1     0.04   0.09   0.02    -0.27  -0.59  -0.17     0.24   0.53   0.15
    17   1    -0.15  -0.01  -0.02     0.61   0.05   0.07     0.28   0.02   0.03
    18   1     0.22  -0.31  -0.06    -0.15   0.20   0.04    -0.40   0.54   0.10
    19   1     0.35   0.79   0.24     0.11   0.25   0.08     0.11   0.23   0.07
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.2772              3207.3527              3808.5397
 Red. masses --      1.0959                 1.0925                 1.0662
 Frc consts  --      6.5802                 6.6217                 9.1121
 IR Inten    --     19.4512                 4.1515                22.9054
 RamAct Fr= 1--    221.2485               133.7080               133.0406
  Dep-P Fr= 1--      0.1159                 0.1383                 0.2352
  Dep-U Fr= 1--      0.2077                 0.2431                 0.3808
 Alpha2 Fr= 1--      3.7251                 2.1287                 1.6430
 Beta2  Fr= 1--      7.6598                 5.4164                 8.4440
 AlphaG Fr= 1--     -0.2974                 0.2136                 0.1560
 Gamma2 Fr= 1--     -0.8874                 1.1327                 2.2311
 Delta2 Fr= 1--     -3.2138                 1.5580                -0.7220
 Raman1 Fr= 1--     884.994                534.832                532.162
 ROA1   Fr= 1--    -188.030                158.596                191.085
 CID1   Fr= 1--      -0.212                  0.297                  0.359
 Raman2 Fr= 1--      91.917                 64.997                101.327
 ROA2   Fr= 1--       4.414                 14.721                 59.323
 CID2   Fr= 1--       0.048                  0.226                  0.585
 Raman3 Fr= 1--     183.835                129.994                202.655
 ROA3   Fr= 1--    -188.030                158.596                191.085
 CID3   Fr= 1--      -1.023                  1.220                  0.943
 RC180  Fr= 1--      -0.585                 -0.514                 -0.238
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.99   0.06  -0.06
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.01   0.01   0.00     0.05  -0.07  -0.01     0.00   0.00   0.00
    11   6    -0.01  -0.03  -0.01    -0.01  -0.02  -0.01     0.00  -0.00  -0.00
    12   6    -0.06  -0.01  -0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.03   0.04   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1     0.13  -0.17  -0.03    -0.56   0.76   0.12     0.00   0.00   0.00
    16   1     0.12   0.28   0.08     0.11   0.25   0.07     0.00   0.00   0.00
    17   1     0.70   0.06   0.08     0.11   0.01   0.01     0.00   0.00   0.00
    18   1     0.33  -0.45  -0.08     0.03  -0.05  -0.01     0.00  -0.00   0.00
    19   1    -0.07  -0.14  -0.04    -0.00  -0.01  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   519.290171584.083771862.35835
           X            0.99982   0.01579  -0.01030
           Y           -0.01559   0.99970   0.01900
           Z            0.01059  -0.01883   0.99977
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16679     0.05468     0.04651
 Rotational constants (GHZ):           3.47540     1.13930     0.96906
 Zero-point vibrational energy     421954.3 (Joules/Mol)
                                  100.84950 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     48.29   189.40   313.64   371.47   391.60
          (Kelvin)            442.97   541.06   595.40   693.57   782.85
                              881.23   918.20  1027.42  1110.51  1120.71
                             1236.81  1304.89  1334.98  1386.96  1417.03
                             1467.78  1477.10  1517.35  1569.60  1577.60
                             1628.10  1703.97  1720.95  1736.18  1798.06
                             1932.46  1953.26  1958.04  2019.83  2041.26
                             2140.09  2145.08  2154.12  2210.12  2346.82
                             2377.13  4283.84  4348.92  4443.99  4476.62
                             4540.69  4559.19  4574.44  4592.97  4614.67
                             5479.64
 
 Zero-point correction=                           0.160714 (Hartree/Particle)
 Thermal correction to Energy=                    0.169146
 Thermal correction to Enthalpy=                  0.170090
 Thermal correction to Gibbs Free Energy=         0.127121
 Sum of electronic and zero-point Energies=           -386.115587
 Sum of electronic and thermal Energies=              -386.107154
 Sum of electronic and thermal Enthalpies=            -386.106210
 Sum of electronic and thermal Free Energies=         -386.149180
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.141             32.296             90.437
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.817
 Vibrational            104.363             26.335             21.307
 Vibration     1          0.594              1.983              5.607
 Vibration     2          0.612              1.922              2.922
 Vibration     3          0.646              1.814              1.976
 Vibration     4          0.667              1.749              1.674
 Vibration     5          0.675              1.725              1.582
 Vibration     6          0.698              1.659              1.374
 Vibration     7          0.747              1.521              1.055
 Vibration     8          0.777              1.440              0.913
 Vibration     9          0.838              1.290              0.705
 Vibration    10          0.899              1.153              0.557
 Vibration    11          0.972              1.005              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.337686D-58        -58.471486       -134.635573
 Total V=0       0.282951D+16         15.451712         35.578881
 Vib (Bot)       0.143767D-71        -71.842342       -165.423106
 Vib (Bot)    1  0.616772D+01          0.790125          1.819330
 Vib (Bot)    2  0.154805D+01          0.189785          0.436997
 Vib (Bot)    3  0.908166D+00         -0.041835         -0.096328
 Vib (Bot)    4  0.752963D+00         -0.123226         -0.283739
 Vib (Bot)    5  0.709277D+00         -0.149184         -0.343509
 Vib (Bot)    6  0.614928D+00         -0.211176         -0.486251
 Vib (Bot)    7  0.482117D+00         -0.316848         -0.729569
 Vib (Bot)    8  0.426305D+00         -0.370279         -0.852599
 Vib (Bot)    9  0.346331D+00         -0.460509         -1.060361
 Vib (Bot)   10  0.290049D+00         -0.537528         -1.237705
 Vib (Bot)   11  0.240656D+00         -0.618603         -1.424385
 Vib (V=0)       0.120464D+03          2.080856          4.791348
 Vib (V=0)    1  0.668796D+01          0.825294          1.900309
 Vib (V=0)    2  0.212679D+01          0.327726          0.754616
 Vib (V=0)    3  0.153671D+01          0.186592          0.429643
 Vib (V=0)    4  0.140385D+01          0.147322          0.339222
 Vib (V=0)    5  0.136780D+01          0.136022          0.313202
 Vib (V=0)    6  0.129255D+01          0.111447          0.256617
 Vib (V=0)    7  0.119458D+01          0.077214          0.177792
 Vib (V=0)    8  0.115707D+01          0.063358          0.145888
 Vib (V=0)    9  0.110823D+01          0.044630          0.102765
 Vib (V=0)   10  0.107804D+01          0.032634          0.075143
 Vib (V=0)   11  0.105490D+01          0.023212          0.053447
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.443069D+06          5.646471         13.001481
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                 33333 33 32                                           11 1111111111111111111                                  
     8                 21111 10 09                                           66 54444433322111000009999 8 77 7 66 5 4  43 3222  1    
     0                 09765 18 27                                           53 39981065450983995228620 6 77 1 31 4 8  17 0751  3  3 
     9                 72996 19 37                                           21 67179418307642615705487 0 92 4 82 4 2  46 8288  2  4 
 
     X                 XXXXX XX XX                                           XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX X X  XX XXXX  X  X 
     X                  XX X XX XX                                              X  XXXXX  XX XXX      X    X X  X X        XX        
     X                  XX   XX XX                                                 X X    XX XXX      X    X X  X           X        
     X                  XX    X XX                                                        XX XXX      X    X X              X        
     X                   X    X XX                                                         X XXX           X X              X        
                              X XX                                                         X X X             X              X        
                              X XX                                                         X                 X              X        
                                 X                                                         X                 X              X        
                                                                                           X                 X              X        
                                                                                                                            X        
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000017301   -0.000028225    0.000027327
      2        6          -0.000018651    0.000037003   -0.000022551
      3        1           0.000002026    0.000001570   -0.000011470
      4        1           0.000007142   -0.000007901    0.000011853
      5        6           0.000005849   -0.000005041    0.000004743
      6        6          -0.000015324    0.000016269   -0.000017094
      7        1          -0.000002483   -0.000006064    0.000003851
      8        1          -0.000011246   -0.000001754   -0.000000115
      9        1          -0.000000772    0.000001346    0.000002973
     10        6          -0.000019798   -0.000005855   -0.000006210
     11        6           0.000016556    0.000003706    0.000006219
     12        6           0.000013588    0.000016215    0.000005275
     13        6          -0.000005253   -0.000022204   -0.000003052
     14        6           0.000008027   -0.000005190    0.000002995
     15        1           0.000000034    0.000008820    0.000000151
     16        1          -0.000001129    0.000005478    0.000000307
     17        1           0.000004347   -0.000001090   -0.000000698
     18        1           0.000003096   -0.000001731   -0.000000606
     19        1          -0.000003308   -0.000005352   -0.000003901
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037003 RMS     0.000011568
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.130062D+03  0.119391D+01  0.137496D+01
      2   0.119391D+01  0.105600D+03  0.647155D+01
      3   0.137496D+01  0.647155D+01  0.737316D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.116669D+01  0.364966D+01  0.729067D+01
      2   0.611647D+01  0.132453D+02  0.646456D+00
      3  -0.680244D+01 -0.417336D+02 -0.125072D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.856217D+02  0.101845D+02  0.225449D+01
      2  -0.338139D+02 -0.154862D+02 -0.162333D+02
      3  -0.518078D+02  0.530167D+01  0.139788D+02
      4  -0.203011D+02  0.771046D+02  0.322957D+02
      5   0.304620D+02  0.337034D+02 -0.540608D+01
      6   0.121774D+02  0.102550D+02 -0.171279D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.701772D+01  0.671540D+00 -0.218502D+00  0.193150D+01 -0.219917D+01
      2   0.671540D+00  0.605603D+00  0.498785D+00 -0.219917D+01  0.330337D+01
      3  -0.218502D+00  0.498785D+00  0.428228D+00  0.121109D+01 -0.250307D+01
                 6             7             8             9            10 
      1   0.121109D+01 -0.143673D+00  0.923907D+00 -0.128424D+01  0.399216D+01
      2  -0.250307D+01  0.923907D+00 -0.661224D+00  0.128044D+01  0.132614D+01
      3   0.565689D+00 -0.128424D+01  0.128044D+01 -0.152558D+01 -0.100013D+01
                11            12            13            14            15 
      1   0.132614D+01 -0.100013D+01  0.421234D+01  0.377188D+01 -0.164384D+01
      2   0.113243D+01 -0.114168D+01  0.377188D+01  0.164931D+01  0.368782D+01
      3  -0.114168D+01  0.195381D+01 -0.164384D+01  0.368782D+01  0.431423D+01
                16            17            18            19            20 
      1  -0.483925D+01 -0.164868D+01  0.469253D+01 -0.111345D+02  0.186840D+01
      2  -0.164868D+01  0.178131D+01  0.401607D+01  0.186840D+01 -0.151877D+01
      3   0.469253D+01  0.401607D+01  0.310660D+00 -0.904333D+00  0.367357D+00
                21            22            23            24            25 
      1  -0.904333D+00  0.406461D+00 -0.828772D+00 -0.531144D-01  0.398728D+00
      2   0.367357D+00 -0.828772D+00  0.544497D+00  0.601458D-02 -0.126437D+00
      3  -0.119196D+01 -0.531144D-01  0.601458D-02  0.147767D+00 -0.754083D+00
                26            27            28            29            30 
      1  -0.126437D+00 -0.754083D+00 -0.830471D+00 -0.130229D+01 -0.124208D+01
      2   0.113828D+00  0.270903D+00 -0.130229D+01 -0.889263D+00 -0.445550D+00
      3   0.270903D+00 -0.373999D+00 -0.124208D+01 -0.445550D+00 -0.129007D+01
                31            32            33            34            35 
      1  -0.321621D+01 -0.178315D+01 -0.801395D+00 -0.187728D+01 -0.779599D+00
      2  -0.178315D+01 -0.407760D+01 -0.266509D+01 -0.779599D+00 -0.250941D+01
      3  -0.801395D+00 -0.266509D+01 -0.306250D+01 -0.201553D+01 -0.277083D+01
                36            37            38            39            40 
      1  -0.201553D+01  0.102237D+02  0.171002D+01  0.740438D+00 -0.930740D-01
      2  -0.277083D+01  0.171002D+01 -0.224570D+01  0.883381D+00 -0.263083D+01
      3  -0.461050D+01  0.740438D+00  0.883381D+00 -0.241083D+01  0.174655D+01
                41            42            43            44            45 
      1  -0.263083D+01  0.174655D+01  0.592195D+01  0.216529D+01 -0.379365D+01
      2   0.221096D+01 -0.292072D+01  0.216529D+01 -0.179795D+01 -0.335371D+01
      3  -0.292072D+01 -0.337906D+01 -0.379365D+01 -0.335371D+01  0.610433D-01
                46            47            48            49            50 
      1  -0.170175D+02 -0.265966D+01  0.182158D+00 -0.332116D+01  0.105585D+01
      2  -0.265966D+01 -0.294722D+01  0.499231D-01  0.105585D+01 -0.333689D-01
      3   0.182158D+00  0.499231D-01 -0.209610D+01  0.131016D+01 -0.334574D+00
                51            52            53            54            55 
      1   0.131016D+01 -0.667088D+00  0.121324D+01 -0.363476D+01  0.745888D-01
      2  -0.334574D+00  0.121324D+01 -0.436362D+00 -0.702328D+00 -0.117250D+01
      3  -0.293640D+00 -0.363476D+01 -0.702328D+00 -0.118410D+01  0.275638D+00
                56            57            58            59            60 
      1  -0.117250D+01  0.275638D+00 -0.182946D+01  0.649708D+00 -0.141677D+00
      2   0.152231D+01 -0.684963D+00  0.649708D+00 -0.613018D+01  0.236940D+01
      3  -0.684963D+00  0.101748D+01 -0.141677D+00  0.236940D+01 -0.186877D+01
                61            62            63            64            65 
      1   0.134600D+00 -0.348299D+00  0.396968D+00 -0.144740D+02 -0.226323D+01
      2  -0.348299D+00  0.170872D+01 -0.130699D+01 -0.226323D+01 -0.132428D+01
      3   0.396968D+00 -0.130699D+01  0.165423D+01  0.111612D+01  0.322921D+00
                66            67            68            69            70 
      1   0.111612D+01 -0.160977D+01 -0.152893D+01  0.127692D-01 -0.152341D+01
      2   0.322921D+00 -0.152893D+01 -0.101279D+01  0.447899D+00 -0.321821D+00
      3  -0.141591D+01  0.127692D-01  0.447899D+00  0.184001D-01 -0.100464D+01
                71            72            73            74            75 
      1  -0.321821D+00 -0.100464D+01 -0.437689D+00  0.479631D+00  0.580783D+00
      2  -0.132402D+00  0.825974D-01  0.479631D+00  0.496276D+00  0.989166D-02
      3   0.825974D-01 -0.117958D+00  0.580783D+00  0.989166D-02  0.100871D+01
                76            77            78            79            80 
      1   0.143609D+01  0.176362D+00 -0.633422D+00  0.924349D+00 -0.170733D+00
      2   0.176362D+00  0.209800D+01  0.203175D+01 -0.170733D+00  0.185111D+01
      3  -0.633422D+00  0.203175D+01  0.329913D+01 -0.210130D+00  0.178493D+01
                81            82            83            84            85 
      1  -0.210130D+00  0.345994D+01 -0.828830D+00  0.157989D+00  0.785159D+01
      2   0.178493D+01 -0.828830D+00 -0.326263D+01 -0.714527D+00  0.342135D+00
      3   0.508045D+01  0.157989D+00 -0.714527D+00 -0.219180D+01  0.216727D+00
                86            87            88            89            90 
      1   0.342135D+00  0.216727D+00  0.281133D+01 -0.191492D+00 -0.188999D+01
      2   0.176172D+01 -0.749350D+00 -0.191492D+00 -0.180529D+01  0.300435D+01
      3  -0.749350D+00  0.169289D+01 -0.188999D+01  0.300435D+01  0.117655D+01
                91            92            93            94            95 
      1  -0.338513D+01 -0.362658D+00 -0.265912D+00  0.487630D+01  0.165294D+00
      2  -0.362658D+00  0.280433D+01 -0.338881D+00  0.165294D+00  0.119796D+01
      3  -0.265912D+00 -0.338881D+00  0.889154D+00 -0.487057D+00 -0.122067D+01
                96            97            98            99           100 
      1  -0.487057D+00  0.540560D+00 -0.103281D+01  0.193371D+01  0.523132D+01
      2  -0.122067D+01 -0.103281D+01 -0.142821D+01  0.343105D+01  0.414525D+00
      3   0.216030D+01  0.193371D+01  0.343105D+01  0.296812D+01 -0.689774D+00
               101           102           103           104           105 
      1   0.414525D+00 -0.689774D+00  0.115128D+01 -0.248643D+00 -0.136736D+01
      2   0.331665D+01 -0.437831D-01 -0.248643D+00  0.386838D+00 -0.649250D+00
      3  -0.437831D-01  0.329764D+01 -0.136736D+01 -0.649250D+00 -0.696979D-01
               106           107           108           109           110 
      1  -0.716604D-01 -0.132510D+01  0.508239D+01 -0.242929D+01 -0.674045D+00
      2  -0.132510D+01  0.304550D+00  0.276827D+00 -0.674045D+00  0.238874D+01
      3   0.508239D+01  0.276827D+00  0.124287D+01 -0.521314D+00  0.893539D+00
               111           112           113           114           115 
      1  -0.521314D+00 -0.550029D+01 -0.826344D+00 -0.100549D+01 -0.188056D+01
      2   0.893539D+00 -0.826344D+00 -0.122468D+01  0.146642D+01 -0.670366D+00
      3   0.210088D+01 -0.100549D+01  0.146642D+01 -0.209605D+01  0.283486D+01
               116           117           118           119           120 
      1  -0.670366D+00  0.283486D+01  0.443500D+01  0.247225D+01  0.764359D+00
      2   0.190456D+01 -0.289075D+01  0.247225D+01 -0.249659D+01 -0.249053D-01
      3  -0.289075D+01 -0.159537D+01  0.764359D+00 -0.249053D-01 -0.137936D+01
               121           122           123           124           125 
      1  -0.662418D+01 -0.794173D+00  0.378774D+00 -0.526860D+00  0.118988D+01
      2  -0.794173D+00 -0.170674D+01  0.118673D+01  0.118988D+01  0.114585D+01
      3   0.378774D+00  0.118673D+01 -0.142794D+01 -0.701157D+00 -0.291771D+01
               126           127           128           129           130 
      1  -0.701157D+00 -0.321482D+01  0.225388D+01  0.198252D+00  0.232758D+01
      2  -0.291771D+01  0.225388D+01 -0.278322D+01 -0.263147D+00 -0.284493D+01
      3  -0.302871D+01  0.198252D+00 -0.263147D+00 -0.423979D+00 -0.510358D+00
               131           132           133           134           135 
      1  -0.284493D+01 -0.510358D+00  0.608806D-01 -0.391895D+00 -0.910671D-01
      2   0.617602D+01  0.871913D+00 -0.391895D+00  0.122546D+01  0.276727D+00
      3   0.871913D+00  0.874639D+00 -0.910671D-01  0.276727D+00  0.167686D+00
               136           137           138           139           140 
      1   0.242571D+01  0.269649D+01  0.800532D+00  0.232991D+01  0.377381D+01
      2   0.269649D+01  0.294186D+01  0.796393D+00  0.377381D+01  0.897298D+01
      3   0.800532D+00  0.796393D+00  0.590499D+00  0.993143D+00  0.217130D+01
               141           142           143           144           145 
      1   0.993143D+00  0.800708D+00  0.120654D+01  0.374583D+00  0.132945D+02
      2   0.217130D+01  0.120654D+01  0.245602D+01  0.664414D+00  0.935109D+00
      3   0.136428D+01  0.374583D+00  0.664414D+00  0.393761D+00  0.125538D+01
               146           147           148           149           150 
      1   0.935109D+00  0.125538D+01  0.798012D+00  0.157000D+01  0.484090D+00
      2   0.814458D+00  0.671095D-01  0.157000D+01  0.341980D+00  0.180170D+00
      3   0.671095D-01  0.979973D+00  0.484090D+00  0.180170D+00  0.129069D+00
               151           152           153           154           155 
      1   0.131128D+01  0.479868D+00  0.978427D-01  0.452581D+01 -0.369635D+01
      2   0.479868D+00  0.120795D+00  0.149102D-01 -0.369635D+01  0.354360D+01
      3   0.978427D-01  0.149102D-01  0.149684D+00 -0.617855D+00  0.478027D+00
               156           157           158           159           160 
      1  -0.617855D+00 -0.355096D+01  0.438307D+01  0.920084D+00 -0.557811D+00
      2   0.478027D+00  0.438307D+01 -0.674884D+01 -0.122195D+01  0.742805D+00
      3   0.606639D+00  0.920084D+00 -0.122195D+01 -0.952334D+00  0.194109D+00
               161           162           163           164           165 
      1   0.742805D+00  0.194109D+00 -0.175720D+01 -0.186844D+01 -0.611742D+00
      2  -0.147660D+01 -0.350112D+00 -0.186844D+01 -0.209858D+01 -0.709892D+00
      3  -0.350112D+00 -0.224315D+00 -0.611742D+00 -0.709892D+00 -0.473005D+00
               166           167           168           169           170 
      1  -0.157595D+01 -0.220316D+01 -0.629678D+00 -0.816802D+00 -0.914295D+00
      2  -0.220316D+01 -0.770944D+01 -0.215475D+01 -0.914295D+00 -0.236475D+01
      3  -0.629678D+00 -0.215475D+01 -0.141639D+01 -0.227756D+00 -0.810778D+00
               171 
      1  -0.227756D+00
      2  -0.810778D+00
      3  -0.544520D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.320958D+00  0.736735D+00  0.975363D+00  0.140456D+00 -0.383927D+01
      2   0.593732D+01 -0.842829D+00  0.184233D+01  0.304262D+00  0.344074D+01
      3   0.142030D+02 -0.453403D+01  0.162711D+01  0.182069D+01  0.108582D+02
                 6             7             8             9            10 
      1  -0.421219D+01 -0.222690D+01  0.378803D+01  0.494524D+00 -0.142308D+01
      2  -0.268069D+01 -0.284923D+01 -0.809199D+00  0.305670D+01  0.267459D+01
      3  -0.533554D+01  0.488203D+00 -0.182274D+01  0.323092D+01  0.165747D+01
                11            12            13            14            15 
      1  -0.377626D+00  0.207423D+00  0.887088D+00  0.252301D+01  0.940213D+00
      2   0.155763D+01 -0.240759D+01  0.307440D+01 -0.607833D+01 -0.699990D+01
      3   0.148771D+01 -0.250505D+00  0.118268D+02 -0.212266D+01  0.838198D+01
                16            17            18            19            20 
      1   0.463398D+01  0.485696D+01 -0.148963D+01 -0.634196D+00  0.777611D+00
      2  -0.154813D+02 -0.928295D+01 -0.305244D+00 -0.619485D+01  0.362558D+00
      3  -0.990900D+00  0.675983D+01  0.620597D+01 -0.867005D+01 -0.364484D+01
                21            22            23            24            25 
      1   0.705473D+00  0.403099D+00 -0.107395D+00 -0.497694D+00  0.552133D+00
      2   0.435248D+01 -0.953885D-01 -0.879935D+00  0.101605D+00  0.130759D+01
      3   0.117048D+00 -0.113234D+01  0.218121D+00  0.407860D+00  0.330911D+00
                26            27            28            29            30 
      1   0.963850D-01 -0.335417D+00 -0.793805D+00  0.147165D+00 -0.107415D+01
      2  -0.415114D+00  0.425266D-01  0.167712D+01  0.387380D+00  0.256583D+01
      3   0.387227D+00 -0.279004D+00 -0.293783D+01 -0.272513D+01 -0.185504D+00
                31            32            33            34            35 
      1  -0.193230D+00  0.142301D+01 -0.247401D+01 -0.124377D+01  0.127386D+01
      2  -0.538782D+00  0.455670D+01  0.577871D+01  0.361500D+00  0.429590D+01
      3   0.476031D+00 -0.777044D+01 -0.554577D+01  0.657921D+00 -0.521214D+01
                36            37            38            39            40 
      1  -0.256454D+01  0.373512D+01 -0.332952D+01 -0.165377D+01 -0.630749D-01
      2   0.752132D+01 -0.136458D+02 -0.483796D+01  0.927773D+01 -0.657140D+01
      3  -0.482258D+01 -0.360482D+01 -0.114145D+02  0.104358D+01 -0.471809D+01
                41            42            43            44            45 
      1   0.203766D+01 -0.107484D+02 -0.172490D+01 -0.517819D+01 -0.325924D+01
      2   0.105685D+02  0.703157D+01  0.580806D+01  0.760181D+01  0.368142D+01
      3   0.107814D+02 -0.111281D+02  0.164822D+01 -0.982360D+01 -0.609706D+01
                46            47            48            49            50 
      1  -0.398037D+00 -0.213736D+00 -0.274674D+00 -0.243041D+01 -0.369183D+01
      2  -0.282779D+01 -0.120658D+01 -0.115877D+01 -0.113729D+01  0.754381D+00
      3  -0.313893D+01  0.528891D+01  0.100575D+01  0.145790D+02  0.147534D+01
                51            52            53            54            55 
      1   0.143609D+01 -0.741717D-01  0.955419D+01  0.275484D+01 -0.161324D+01
      2   0.113694D+01 -0.130611D+02  0.654450D+00  0.333189D+00 -0.211107D+01
      3  -0.135350D+01  0.456177D+00  0.655048D+00 -0.374371D+00 -0.502819D+01
                56            57            58            59            60 
      1   0.208095D+01  0.102505D+01  0.138707D+01 -0.602604D+01 -0.836215D+00
      2   0.269511D+01 -0.204970D+01  0.327619D+01 -0.730076D+01  0.438895D+01
      3   0.519811D+01 -0.165751D+01  0.690912D+01 -0.164395D+02  0.631943D+01
                61            62            63            64            65 
      1   0.416099D+00  0.231040D+01  0.314688D+00 -0.800390D+00 -0.148722D+01
      2  -0.247252D+01  0.334160D+01 -0.394644D+01  0.104328D+02  0.101192D+01
      3  -0.998521D+00  0.465040D+01 -0.390385D+01  0.637670D+01 -0.549492D+01
                66            67            68            69            70 
      1  -0.159031D+01 -0.140738D+01 -0.668293D+00 -0.171857D+00 -0.124508D+01
      2   0.671622D+01  0.166279D+01 -0.229842D+00  0.312992D+00  0.186266D+01
      3   0.209188D+00 -0.147540D+01 -0.215456D+01  0.141282D+01 -0.899444D-01
                71            72            73            74            75 
      1   0.107692D+01 -0.478796D-02  0.148113D+01  0.147883D+01  0.647254D+00
      2  -0.296708D+00  0.870571D+00 -0.200862D+01 -0.957930D+00 -0.256189D+01
      3   0.651330D+00  0.147022D+01  0.203484D+01  0.105806D+01 -0.840381D-01
                76            77            78            79            80 
      1   0.544116D+00  0.570002D+01  0.399685D+01 -0.153084D+00  0.626587D+01
      2  -0.143983D+01 -0.599113D+01 -0.813401D+01 -0.293970D+01 -0.498693D+01
      3   0.177629D+01  0.576256D+01  0.587954D+01 -0.535901D+00  0.531869D+01
                81            82            83            84            85 
      1   0.664353D+01 -0.508695D+00  0.685876D-01  0.323931D+01 -0.884288D+00
      2  -0.124870D+02  0.240314D+01  0.461051D+00 -0.156941D+01  0.381245D+01
      3   0.539723D+01  0.258345D+01 -0.504019D+00  0.110972D+01  0.563544D+01
                86            87            88            89            90 
      1   0.366146D+00 -0.256677D+01  0.621586D+01  0.306044D+01  0.383980D-01
      2   0.103915D+01  0.490502D+00 -0.115806D+02 -0.366072D+00 -0.187827D+00
      3  -0.607669D+01  0.885875D+00 -0.501863D+00 -0.428173D+00 -0.509134D+01
                91            92            93            94            95 
      1   0.735903D+00  0.736538D+00 -0.191860D+01  0.152950D+01  0.648121D-01
      2  -0.426564D+00  0.252539D+01  0.182968D+00  0.117288D+01 -0.360517D+01
      3  -0.246837D+00 -0.108249D+02 -0.265475D+01  0.460685D+01 -0.161011D+01
                96            97            98            99           100 
      1  -0.374106D+01 -0.477182D+01  0.148836D+01 -0.160804D+01  0.278647D+00
      2   0.588674D+01 -0.770708D+01  0.826873D+01  0.493400D+01 -0.166808D+00
      3   0.217338D+01 -0.680110D-01  0.260789D+01 -0.412970D+01 -0.946355D+00
               101           102           103           104           105 
      1  -0.649300D+00 -0.123923D+01 -0.111654D+01 -0.332407D+01  0.296758D+01
      2  -0.564813D+00  0.927247D+01 -0.470582D+01 -0.208810D+00  0.343175D+00
      3  -0.791531D+01  0.464638D+00  0.102312D+02  0.515889D+00  0.173174D+01
               106           107           108           109           110 
      1  -0.172416D+01  0.103993D+02  0.314570D+01 -0.727941D+00 -0.103155D+01
      2   0.705787D+01  0.136729D+01  0.303307D+01 -0.105442D+01  0.224431D+01
      3   0.428017D+01  0.121225D+01  0.444469D+00  0.773901D+00 -0.112256D+02
               111           112           113           114           115 
      1   0.321332D+01 -0.166946D+01  0.233003D+00 -0.272802D+01  0.645680D+01
      2   0.265821D+01 -0.106915D+01  0.382902D+01 -0.638341D+01 -0.423379D+01
      3  -0.238164D+01  0.633338D+01  0.932870D+00 -0.268553D+01 -0.963534D-01
               116           117           118           119           120 
      1   0.329448D+01  0.138852D+01 -0.981207D-01  0.186793D+01 -0.255066D+01
      2  -0.909794D+01 -0.471208D+01  0.397252D+01  0.199163D+01 -0.134796D+01
      3  -0.430111D+01  0.327629D+01 -0.185769D+01 -0.216276D+01 -0.260034D+01
               121           122           123           124           125 
      1   0.141357D+01  0.601240D+00 -0.308138D+01 -0.483367D+01  0.160740D+01
      2   0.136381D+01 -0.785934D+00 -0.121175D+01 -0.129834D+02 -0.111401D+01
      3   0.279109D+01  0.639041D+01 -0.556930D-01 -0.355629D+01 -0.918681D+00
               126           127           128           129           130 
      1  -0.732824D+00  0.362872D+00 -0.812297D+00  0.194363D+01  0.219957D+00
      2  -0.308493D+01  0.168398D+01 -0.813158D+00  0.448845D+00 -0.668342D+00
      3   0.477728D+01 -0.884396D+01  0.362559D+01  0.251434D+00  0.670519D+01
               131           132           133           134           135 
      1  -0.107733D+00 -0.324447D+01 -0.202402D+00  0.182872D+01  0.379300D-01
      2   0.120249D+01 -0.941431D+00 -0.163445D+01  0.616491D+00 -0.210782D+00
      3  -0.535141D+01 -0.122795D+01 -0.211507D+00 -0.705409D+00 -0.294963D+00
               136           137           138           139           140 
      1  -0.229005D+00  0.669676D-01 -0.180378D+01 -0.210931D+00  0.534913D+00
      2   0.427349D+00  0.754890D+00  0.182286D+01  0.687641D+00  0.322754D+01
      3  -0.777316D+00 -0.265365D+01 -0.521129D+00 -0.140517D+01 -0.130740D+02
               141           142           143           144           145 
      1  -0.424542D+01  0.604594D+00  0.216754D+01 -0.575933D+00 -0.130534D+00
      2   0.353179D+01 -0.560902D+00  0.291883D+00  0.792976D+00  0.173404D+01
      3  -0.284426D+01 -0.625753D+00 -0.351903D+01 -0.839742D+00 -0.285214D+00
               146           147           148           149           150 
      1   0.441627D+00 -0.447899D+00  0.864296D-01 -0.219602D-01 -0.367305D+00
      2  -0.292806D-01  0.619258D+01  0.185187D+01  0.419208D+00  0.734275D+00
      3  -0.528566D+01  0.117857D+00 -0.360018D+01 -0.851571D+00 -0.419324D+00
               151           152           153           154           155 
      1   0.283084D+00  0.636549D+00  0.430580D-01  0.288646D+00 -0.776147D+00
      2  -0.287163D+01 -0.118614D+00  0.487055D+00  0.191599D+00 -0.173763D+00
      3  -0.153848D+01 -0.794104D+00 -0.171266D+00  0.155192D+01 -0.484440D+01
               156           157           158           159           160 
      1   0.215450D+01  0.325378D+00  0.192985D+00 -0.342125D+01 -0.919995D+00
      2   0.260385D+01  0.833124D+00 -0.160805D+01 -0.339359D+01 -0.779125D+00
      3  -0.214887D+00 -0.318213D+01  0.110839D+02  0.152282D+01 -0.119027D+01
               161           162           163           164           165 
      1   0.173376D+01 -0.371230D+00  0.153776D+00  0.274445D+00 -0.155825D+01
      2   0.365189D+00 -0.494060D+00 -0.200973D+01 -0.133127D+01  0.283039D-01
      3   0.269872D+01  0.522719D+00  0.654655D+01  0.377666D+01  0.135407D+01
               166           167           168           169           170 
      1   0.349867D+00  0.875499D+00 -0.387401D+01  0.566752D+00  0.253367D+01
      2  -0.181343D+01 -0.234980D+01  0.752419D-02 -0.229855D+01 -0.921809D+00
      3   0.687782D+01  0.803830D+01  0.257290D+01  0.254219D+01  0.258360D+01
               171 
      1  -0.669647D+00
      2  -0.171403D-01
      3   0.678786D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.336692D+02  0.133690D+01  0.835399D+00 -0.733521D+01 -0.511678D+01
      2   0.186383D+02 -0.265841D+01 -0.159179D+01  0.135784D+01  0.127774D+02
      3   0.150308D+02  0.132151D+01  0.756387D+00  0.597737D+01 -0.766065D+01
      4   0.436657D+01  0.557228D+01 -0.226903D+01  0.189724D+02 -0.208550D+02
      5  -0.511927D+01 -0.235280D+01  0.618363D+01 -0.953189D+01  0.117054D+02
      6  -0.228495D+01 -0.120516D+00 -0.238024D+01  0.441028D+01 -0.646823D+01
                 6             7             8             9            10 
      1   0.792956D+00  0.133526D+01  0.262366D+01 -0.341127D+01  0.107047D+02
      2   0.126814D+01 -0.129996D+01 -0.171079D+01 -0.435158D+01 -0.340986D+01
      3  -0.206110D+01 -0.353041D-01 -0.912871D+00  0.776285D+01 -0.729482D+01
      4   0.122331D+02 -0.690164D+01  0.467645D+01 -0.622295D+01 -0.331076D+01
      5  -0.587702D+01  0.119110D+02 -0.673492D+01  0.890122D+01  0.573680D+01
      6   0.118318D+02 -0.184636D+01  0.778511D+01 -0.660694D+01  0.185176D+01
                11            12            13            14            15 
      1   0.203046D+01 -0.159253D+01  0.350860D+01 -0.150535D+01  0.628690D+01
      2   0.398514D+00 -0.969302D+00  0.226313D+01  0.719187D+00 -0.986502D+01
      3  -0.242898D+01  0.256183D+01 -0.577173D+01  0.786167D+00  0.357812D+01
      4  -0.121459D+02  0.358322D+01 -0.225668D+02 -0.524328D+01 -0.177047D+02
      5   0.413844D+01 -0.150400D+02  0.115673D+02 -0.168442D+02 -0.171915D+02
      6   0.908327D+00 -0.224812D+01 -0.500927D+01 -0.608166D+01 -0.146244D+02
                16            17            18            19            20 
      1   0.118864D+02  0.705948D+01 -0.173531D+01  0.608170D+02 -0.862339D+01
      2  -0.936975D+01 -0.306720D+01  0.481173D+01 -0.318059D+02  0.346152D+01
      3  -0.251668D+01 -0.399228D+01 -0.307642D+01 -0.290112D+02  0.516186D+01
      4   0.124277D+02 -0.929392D+01 -0.206979D+02 -0.215572D+02  0.105828D+02
      5  -0.272159D+02 -0.191057D+02 -0.295320D+00  0.135882D+02 -0.292894D+01
      6  -0.114229D+02 -0.119756D+02 -0.791219D+00 -0.188826D+01  0.129550D+01
                21            22            23            24            25 
      1   0.371660D+01  0.624597D+00  0.367847D+01  0.236123D-01 -0.116773D+01
      2  -0.294510D+01 -0.175136D+01 -0.812478D+00 -0.822025D-01 -0.641482D-01
      3  -0.771493D+00  0.112676D+01 -0.286599D+01  0.585902D-01  0.123187D+01
      4  -0.241869D+01  0.721531D+01 -0.321140D+01  0.243319D+00  0.117995D+01
      5   0.783442D+01  0.398678D+00  0.713066D+00 -0.368850D+00  0.614154D+01
      6  -0.166643D+01  0.133051D+01  0.140325D-01  0.132715D+01 -0.116497D+01
                26            27            28            29            30 
      1   0.624227D+00  0.314888D+01  0.286642D+01  0.235777D+01  0.331987D+01
      2   0.237362D+00 -0.259486D+01 -0.192598D+01 -0.104260D+01 -0.187035D+01
      3  -0.861589D+00 -0.554018D+00 -0.940435D+00 -0.131517D+01 -0.144953D+01
      4  -0.433136D+00 -0.174191D+01  0.789158D+01  0.896010D+01  0.418084D+01
      5  -0.146485D+01  0.229383D+01  0.706513D+01  0.411555D+01  0.102937D+02
      6   0.875513D+00 -0.173664D+00  0.500076D+01  0.189486D+01  0.275461D+01
                31            32            33            34            35 
      1   0.219580D+01 -0.701314D+01 -0.565064D+01  0.142067D+01 -0.603324D+01
      2  -0.851493D+00  0.733739D+01  0.376459D+01 -0.207656D+01  0.130932D+01
      3  -0.134431D+01 -0.324257D+00  0.188605D+01  0.655893D+00  0.472392D+01
      4   0.114328D+02  0.190103D+02  0.121396D+02  0.532885D+01  0.117114D+02
      5   0.555043D+01  0.116123D+02  0.136856D+02  0.132523D+02  0.120409D+02
      6   0.439475D+01  0.132239D+02  0.127689D+02  0.562567D+01  0.123299D+02
                36            37            38            39            40 
      1  -0.845296D+01 -0.633089D+02 -0.172890D+02  0.565650D+01 -0.147535D+02
      2  -0.364125D+01  0.255484D+02  0.127125D+02  0.106980D+01  0.823343D+01
      3   0.120942D+02  0.377606D+02  0.457647D+01 -0.672630D+01  0.652007D+01
      4   0.128592D+02 -0.216649D+02  0.846755D+01 -0.302959D+01  0.109831D+02
      5   0.193591D+02  0.789113D+01 -0.360468D+00  0.124969D+02 -0.602318D+01
      6   0.141928D+02  0.119393D+01 -0.761816D+01  0.476295D+01 -0.584543D+01
                41            42            43            44            45 
      1   0.225173D+02 -0.211780D+01 -0.581283D+01 -0.317189D+01  0.114224D+02
      2  -0.140088D+02  0.157937D+02  0.861133D+01  0.128945D+02 -0.419230D+01
      3  -0.850858D+01 -0.136759D+02 -0.279850D+01 -0.972262D+01 -0.723006D+01
      4  -0.542748D+01  0.125145D+02 -0.125208D+02  0.828184D+01  0.198958D+02
      5   0.782671D+01  0.164737D+02  0.233741D+02  0.177204D+02 -0.523155D+01
      6   0.741798D+01 -0.469246D+01  0.962052D+01 -0.841102D+00 -0.103524D+02
                46            47            48            49            50 
      1  -0.179393D+02 -0.802389D+00 -0.233525D+01  0.321272D+01 -0.820701D+01
      2   0.606185D+01  0.169034D+00 -0.272209D+00 -0.437273D+01  0.126958D+02
      3   0.118775D+02  0.633356D+00  0.260745D+01  0.116001D+01 -0.448881D+01
      4   0.980195D+01  0.455380D+01  0.804585D-01 -0.925098D+01 -0.363110D+01
      5  -0.715357D+01 -0.607197D+00 -0.260497D-01 -0.509939D+01  0.115759D+01
      6  -0.282105D+01  0.844391D+00  0.692591D+00 -0.258608D+01  0.532580D+01
                51            52            53            54            55 
      1  -0.920999D+00 -0.781275D+01 -0.219927D+01 -0.904996D+01 -0.956834D+00
      2   0.674468D+01  0.220433D+00  0.348584D+01 -0.239531D+01  0.308698D+01
      3  -0.582368D+01  0.759232D+01 -0.128656D+01  0.114453D+02 -0.213014D+01
      4   0.673996D+00 -0.581405D+01  0.204241D+00  0.277374D+01  0.230185D+01
      5   0.191734D+01  0.493644D+01  0.230883D+01 -0.454251D+00  0.657610D+00
      6  -0.164092D+01 -0.478080D+00  0.749852D+01 -0.293647D+01 -0.324201D+01
                56            57            58            59            60 
      1   0.102721D+02 -0.521276D+01  0.104498D+02 -0.240739D+02  0.973244D+01
      2  -0.875306D+01  0.163290D+01 -0.693190D+01  0.271428D+02 -0.674238D+01
      3  -0.151903D+01  0.357986D+01 -0.351787D+01 -0.306888D+01 -0.299006D+01
      4  -0.201321D+01  0.942372D+00  0.302036D+01  0.227367D+02 -0.907485D+01
      5  -0.820477D+00 -0.186308D+01 -0.381114D+01 -0.630192D+01  0.597573D+01
      6   0.541725D+01 -0.401377D+01  0.197606D+01 -0.189750D+02  0.120657D+02
                61            62            63            64            65 
      1  -0.223321D+01  0.764314D+01 -0.958527D+01  0.891518D+02  0.109253D+02
      2   0.517865D+00 -0.446877D+01  0.329250D+01 -0.433225D+02 -0.321502D+01
      3   0.171534D+01 -0.317437D+01  0.629277D+01 -0.458293D+02 -0.771028D+01
      4   0.701345D+00 -0.626682D+01  0.362761D+01  0.293366D+02  0.153737D+02
      5   0.973400D+00  0.347114D+01 -0.461143D+01 -0.232194D+02 -0.416949D+01
      6  -0.202105D+01  0.107472D+02 -0.679945D+01 -0.377713D+01 -0.286066D+01
                66            67            68            69            70 
      1  -0.260525D+01  0.714185D+01  0.585662D+01  0.345581D+00  0.724238D+01
      2   0.427148D+01 -0.107248D+01 -0.901443D+00 -0.107210D+01 -0.117708D+01
      3  -0.166623D+01 -0.606938D+01 -0.495518D+01  0.726521D+00 -0.606530D+01
      4  -0.250519D+01  0.153335D+02  0.795258D+01 -0.233724D+01  0.255656D+01
      5   0.134196D+02 -0.197979D+01 -0.331944D+01  0.609589D+00  0.983434D+01
      6   0.319913D+01 -0.223890D+01 -0.216617D+01  0.253266D+01  0.251412D+01
                71            72            73            74            75 
      1   0.814899D+00  0.620586D+01  0.374416D+01 -0.112433D+01 -0.611026D+01
      2  -0.666943D+00 -0.453636D+01 -0.367735D+01 -0.113824D+00  0.460474D+00
      3  -0.147956D+00 -0.166950D+01 -0.668092D-01  0.123815D+01  0.564978D+01
      4   0.748975D+00  0.108201D+01 -0.743183D+00 -0.132546D+01 -0.235648D-01
      5   0.197842D+00 -0.662580D+00 -0.268438D+01  0.156164D+01 -0.619441D-01
      6   0.169895D+01  0.521489D+00  0.169622D+01  0.187953D+01 -0.370341D+00
                76            77            78            79            80 
      1  -0.442030D+01 -0.711177D+01 -0.560508D+01 -0.488729D+01 -0.401198D+01
      2   0.299419D+01 -0.509191D+00 -0.763991D+01  0.314637D+01 -0.633020D+01
      3   0.142612D+01  0.762096D+01  0.132450D+02  0.174092D+01  0.103422D+02
      4   0.355746D+00 -0.110036D+02 -0.100957D+02  0.289497D+00 -0.941539D+01
      5   0.618004D+01 -0.810515D+01 -0.145769D+02  0.583992D+01 -0.761630D+01
      6   0.266445D+00  0.715145D+01  0.719897D+01 -0.291242D+00  0.676295D+01
                81            82            83            84            85 
      1  -0.140219D+02  0.135466D+01  0.175841D+02  0.583103D+01 -0.551531D+01
      2  -0.125579D+02 -0.359470D+01 -0.121452D+02 -0.525140D+00  0.126550D+02
      3   0.265798D+02  0.224004D+01 -0.543887D+01 -0.530589D+01 -0.713967D+01
      4  -0.971942D+01  0.935749D+01 -0.115519D+02 -0.129126D+00  0.244592D+01
      5  -0.205460D+02  0.416774D+01 -0.696388D+00 -0.211563D+01  0.314395D+01
      6   0.504348D+01  0.277852D+01 -0.214710D+01 -0.616440D+01  0.771394D+01
                86            87            88            89            90 
      1   0.156791D+01  0.444872D+01 -0.152102D+01  0.685205D+01 -0.136508D+02
      2  -0.474262D+01 -0.369048D+01  0.630183D+01 -0.894962D+01  0.142238D+01
      3   0.317471D+01 -0.758243D+00 -0.478081D+01  0.209757D+01  0.122285D+02
      4   0.148712D+02  0.279671D+01  0.264110D+01  0.484121D+00  0.370061D+01
      5   0.246337D+01  0.222988D+00  0.445857D+01  0.284909D+01 -0.123736D+01
      6  -0.585275D+01  0.548928D+01 -0.182176D+01  0.117007D+02 -0.115353D+00
                91            92            93            94            95 
      1   0.816421D+01 -0.223759D+02 -0.317732D+01  0.216918D+02  0.116234D+02
      2  -0.601590D+01  0.148721D+02  0.973327D+00 -0.201673D+02 -0.146544D+02
      3  -0.214831D+01  0.750378D+01  0.220400D+01 -0.152451D+01  0.303106D+01
      4  -0.137917D+02 -0.646629D+01 -0.465349D+01  0.980512D+01 -0.321463D+01
      5  -0.645589D+01 -0.303967D+01 -0.277529D+01  0.254915D-01 -0.808358D+01
      6  -0.539325D+01 -0.172616D+01  0.398895D+01 -0.609701D+01 -0.124791D+02
                96            97            98            99           100 
      1   0.317650D+01  0.462665D+01 -0.979312D+00 -0.544398D+01 -0.149279D+02
      2  -0.793720D+01 -0.845346D+01 -0.829839D+01 -0.655753D+01  0.852749D+01
      3   0.476070D+01  0.382681D+01  0.927770D+01  0.120015D+02  0.640042D+01
      4  -0.756368D+01 -0.503757D+01 -0.117306D+02  0.117349D+02 -0.224011D+01
      5   0.118872D+02  0.124793D+02  0.123494D+02  0.100159D+02 -0.684377D+01
      6   0.541881D+01  0.434640D+01  0.125185D+02  0.353456D+01  0.399467D+00
               101           102           103           104           105 
      1  -0.238989D+01 -0.737944D+01  0.794258D+01 -0.206336D+02 -0.837583D+01
      2   0.184249D+01  0.317035D+01 -0.615724D+01  0.185338D+02  0.119235D+02
      3   0.547395D+00  0.420909D+01 -0.178534D+01  0.209983D+01 -0.354769D+01
      4   0.232881D+02 -0.176078D+00 -0.195941D+02 -0.537038D+01 -0.459364D+01
      5  -0.443804D+00  0.203333D+02 -0.139915D+02 -0.189987D+01  0.810018D+00
      6   0.412055D+00  0.231801D+01 -0.356249D+01  0.516612D+01 -0.465652D+01
               106           107           108           109           110 
      1  -0.605192D+01 -0.895699D+01  0.114963D+02  0.101047D+01  0.237398D+02
      2   0.969333D+00  0.663092D+01 -0.151897D+02 -0.385180D+01 -0.146001D+02
      3   0.508259D+01  0.232607D+01  0.369346D+01  0.284133D+01 -0.913973D+01
      4  -0.143095D+02 -0.597400D+00  0.198105D+00  0.188768D+02  0.279711D+01
      5   0.330960D+02  0.186645D+01  0.636245D+01 -0.212816D-01  0.194382D+01
      6   0.597047D+00  0.707792D+01 -0.475172D+01  0.179812D+01 -0.195242D+01
               111           112           113           114           115 
      1   0.647125D+01 -0.251047D+02  0.469352D+01  0.183415D+01 -0.893221D+01
      2   0.670941D+00  0.248974D+02 -0.842512D+01 -0.204526D+01  0.109039D+02
      3  -0.714220D+01  0.207254D+00  0.373160D+01  0.211115D+00 -0.197167D+01
      4   0.389714D+01  0.420670D+01  0.108247D+02  0.111352D+02 -0.194768D+00
      5   0.570183D+01 -0.506285D+01  0.943425D+01 -0.126849D+02  0.184761D+02
      6  -0.687995D+01  0.852427D+01 -0.766345D+01  0.571445D+01 -0.537680D+01
               116           117           118           119           120 
      1   0.590682D+01  0.216972D+01  0.971192D+01 -0.131516D+02 -0.894211D-01
      2  -0.984536D+01 -0.880004D+01 -0.719637D+01  0.103664D+02 -0.174170D+01
      3   0.393853D+01  0.663032D+01 -0.251556D+01  0.278520D+01  0.183112D+01
      4   0.979200D+01 -0.122387D+02 -0.109430D+02 -0.184254D+02 -0.448425D+01
      5  -0.129378D+02 -0.980393D+01  0.134812D+01 -0.333654D+01 -0.542688D+01
      6   0.114889D+02 -0.643418D+00 -0.314377D+01 -0.261919D+01  0.498957D+01
               121           122           123           124           125 
      1   0.249490D+01  0.874889D+01  0.573365D+01  0.270201D+01  0.371875D+01
      2  -0.920778D+01 -0.112078D+02 -0.811365D+01 -0.521313D+01 -0.103784D+02
      3   0.671288D+01  0.245895D+01  0.238000D+01  0.251112D+01  0.665969D+01
      4   0.121929D+02 -0.127624D+02 -0.202341D+01 -0.490874D+00 -0.408357D+01
      5  -0.551658D+00 -0.251997D+01 -0.141863D+01  0.151020D+01 -0.541404D+01
      6  -0.623508D+01 -0.114760D+02  0.324322D+01  0.165913D+01  0.103204D+02
               126           127           128           129           130 
      1  -0.147400D+02 -0.464978D+01  0.796028D+01  0.856685D+00  0.873255D+01
      2  -0.188248D+01  0.678313D+01 -0.109791D+02 -0.885858D+00 -0.115039D+02
      3   0.166224D+02 -0.213335D+01  0.301886D+01  0.291735D-01  0.277132D+01
      4  -0.702526D+01 -0.835959D+01  0.808409D+01  0.105132D+01  0.784869D+01
      5  -0.611071D+01 -0.678429D+00  0.114485D+01  0.133911D+01  0.135545D+01
      6   0.406919D+01  0.917427D+00 -0.112658D+01 -0.248275D+01 -0.230908D+01
               131           132           133           134           135 
      1  -0.218252D+02 -0.361769D+01  0.143120D+01 -0.401854D+01 -0.108157D+01
      2   0.294043D+02  0.294692D+01 -0.199963D+01  0.481783D+01  0.176526D+01
      3  -0.757910D+01  0.670775D+00  0.568435D+00 -0.799284D+00 -0.683689D+00
      4  -0.835063D+01 -0.954803D+00  0.103213D+01 -0.115218D+01 -0.191668D+01
      5  -0.130641D+01 -0.128698D+01  0.113861D+01 -0.804134D+00 -0.690045D+00
      6   0.490237D+01  0.533274D+01 -0.125023D+01  0.246727D+01  0.134191D+01
               136           137           138           139           140 
      1   0.628534D+01  0.505720D+01  0.124598D+01 -0.537638D+00 -0.139533D+02
      2   0.269886D+01  0.477255D+01  0.243298D+00  0.107202D+02  0.343682D+02
      3  -0.898419D+01 -0.982975D+01 -0.148928D+01 -0.101825D+02 -0.204149D+02
      4   0.195608D+02  0.236339D+02  0.596872D+01  0.246216D+02  0.458937D+02
      5   0.532042D+01  0.595993D+01  0.523465D+01  0.611731D+01  0.105186D+02
      6   0.395222D+01  0.455992D+01  0.335073D+01  0.601713D+01  0.139713D+02
               141           142           143           144           145 
      1  -0.354432D+01  0.521575D+00 -0.277564D+01 -0.178883D+01  0.100937D+03
      2   0.551844D+01  0.203767D+01  0.741704D+01  0.297840D+01 -0.571731D+02
      3  -0.197412D+01 -0.255925D+01 -0.464141D+01 -0.118957D+01 -0.437641D+02
      4   0.107179D+02  0.738212D+01  0.129959D+02  0.485791D+01  0.944078D+01
      5   0.672631D+01  0.286469D+01  0.414269D+01  0.289161D+01  0.124461D+02
      6   0.939984D+01  0.275586D+01  0.565714D+01  0.400462D+01 -0.237380D+01
               146           147           148           149           150 
      1   0.675317D+01  0.803405D+01  0.488525D+01  0.918117D+01  0.193234D+01
      2  -0.337135D+01 -0.546001D+01 -0.221559D+01 -0.424927D+01 -0.158581D+01
      3  -0.338182D+01 -0.257404D+01 -0.266966D+01 -0.493190D+01 -0.346530D+00
      4   0.898217D+01  0.523642D+00  0.147147D+02  0.291072D+01  0.148330D+01
      5   0.608572D+00  0.106628D+02  0.394021D+01  0.172040D+01  0.121862D+01
      6   0.420043D+00  0.241875D+00  0.101045D+01 -0.294339D-01  0.142142D+01
               151           152           153           154           155 
      1   0.965606D+01  0.218430D+01  0.384456D+01  0.194289D+02 -0.123161D+02
      2  -0.545765D+01 -0.115172D+01 -0.233286D+01 -0.256715D+01 -0.207509D+01
      3  -0.419841D+01 -0.103258D+01 -0.151170D+01 -0.168617D+02  0.143912D+02
      4   0.418177D+01  0.156691D+01  0.829975D+00 -0.313804D+02  0.299900D+02
      5   0.329761D+01  0.485500D+00  0.187703D+01 -0.587973D+01  0.429877D+01
      6   0.111278D+00  0.506057D+00  0.409962D+00  0.218212D+01 -0.184874D+01
               156           157           158           159           160 
      1  -0.240811D+01 -0.784768D+01  0.179748D+01  0.502200D+00 -0.446458D+00
      2   0.754550D+00 -0.700623D+01  0.185491D+02  0.120057D+01 -0.163166D+01
      3   0.165356D+01  0.148539D+02 -0.203466D+02 -0.170277D+01  0.207812D+01
      4   0.427367D+01  0.329232D+02 -0.444590D+02 -0.775946D+01  0.576363D+01
      5   0.576843D+01  0.671428D+01 -0.819261D+01 -0.623116D+01  0.265085D+01
      6  -0.309792D+01 -0.423406D+01  0.625194D+01  0.619417D+01 -0.197873D+01
               161           162           163           164           165 
      1  -0.566672D+00 -0.155150D+00 -0.530843D+01 -0.835261D+01 -0.322376D+01
      2   0.357260D+01  0.136405D+01  0.648736D+01  0.956276D+01  0.209770D+01
      3  -0.300593D+01 -0.120890D+01 -0.117893D+01 -0.121015D+01  0.112606D+01
      4  -0.797083D+01 -0.363574D+01  0.425043D+01  0.724288D+01  0.165919D+01
      5  -0.270281D+01 -0.158370D+01  0.120943D+01  0.145578D+01  0.177221D+01
      6   0.284588D+01  0.204011D+01  0.315366D+01  0.438764D+01  0.300552D+01
               166           167           168           169           170 
      1  -0.816210D+01 -0.306250D+02 -0.929105D+01 -0.287345D+01 -0.902815D+01
      2   0.970874D+01  0.387836D+02  0.824222D+01  0.311768D+01  0.101876D+02
      3  -0.154664D+01 -0.815868D+01  0.104883D+01 -0.244227D+00 -0.115949D+01
      4   0.540218D+01  0.522954D+00 -0.455120D+00  0.178453D+01  0.481978D+00
      5   0.105829D+01 -0.578527D+00  0.108796D+00  0.104318D+01  0.542118D+00
      6   0.384853D+01  0.142384D+02  0.940683D+01  0.161602D+01  0.613604D+01
               171 
      1  -0.432506D+01
      2   0.424353D+01
      3   0.815277D-01
      4   0.163866D+01
      5   0.900711D+00
      6   0.448404D+01
 Leave Link  716 at Thu Aug 12 21:35:24 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.130062D+03  0.119391D+01  0.137496D+01
      2   0.119391D+01  0.105600D+03  0.647155D+01
      3   0.137496D+01  0.647155D+01  0.737316D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.116669D+01  0.364966D+01  0.729067D+01
      2   0.611647D+01  0.132453D+02  0.646456D+00
      3  -0.680244D+01 -0.417336D+02 -0.125072D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.856217D+02  0.101845D+02  0.225449D+01
      2  -0.338139D+02 -0.154862D+02 -0.162333D+02
      3  -0.518078D+02  0.530167D+01  0.139788D+02
      4  -0.203011D+02  0.771046D+02  0.322957D+02
      5   0.304620D+02  0.337034D+02 -0.540608D+01
      6   0.121774D+02  0.102550D+02 -0.171279D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.701772D+01  0.671540D+00 -0.218502D+00  0.193150D+01 -0.219917D+01
      2   0.671540D+00  0.605603D+00  0.498785D+00 -0.219917D+01  0.330337D+01
      3  -0.218502D+00  0.498785D+00  0.428228D+00  0.121109D+01 -0.250307D+01
                 6             7             8             9            10 
      1   0.121109D+01 -0.143673D+00  0.923907D+00 -0.128424D+01  0.399216D+01
      2  -0.250307D+01  0.923907D+00 -0.661224D+00  0.128044D+01  0.132614D+01
      3   0.565689D+00 -0.128424D+01  0.128044D+01 -0.152558D+01 -0.100013D+01
                11            12            13            14            15 
      1   0.132614D+01 -0.100013D+01  0.421234D+01  0.377188D+01 -0.164384D+01
      2   0.113243D+01 -0.114168D+01  0.377188D+01  0.164931D+01  0.368782D+01
      3  -0.114168D+01  0.195381D+01 -0.164384D+01  0.368782D+01  0.431423D+01
                16            17            18            19            20 
      1  -0.483925D+01 -0.164868D+01  0.469253D+01 -0.111345D+02  0.186840D+01
      2  -0.164868D+01  0.178131D+01  0.401607D+01  0.186840D+01 -0.151877D+01
      3   0.469253D+01  0.401607D+01  0.310660D+00 -0.904333D+00  0.367357D+00
                21            22            23            24            25 
      1  -0.904333D+00  0.406461D+00 -0.828772D+00 -0.531144D-01  0.398728D+00
      2   0.367357D+00 -0.828772D+00  0.544497D+00  0.601458D-02 -0.126437D+00
      3  -0.119196D+01 -0.531144D-01  0.601458D-02  0.147767D+00 -0.754083D+00
                26            27            28            29            30 
      1  -0.126437D+00 -0.754083D+00 -0.830471D+00 -0.130229D+01 -0.124208D+01
      2   0.113828D+00  0.270903D+00 -0.130229D+01 -0.889263D+00 -0.445550D+00
      3   0.270903D+00 -0.373999D+00 -0.124208D+01 -0.445550D+00 -0.129007D+01
                31            32            33            34            35 
      1  -0.321621D+01 -0.178315D+01 -0.801395D+00 -0.187728D+01 -0.779599D+00
      2  -0.178315D+01 -0.407760D+01 -0.266509D+01 -0.779599D+00 -0.250941D+01
      3  -0.801395D+00 -0.266509D+01 -0.306250D+01 -0.201553D+01 -0.277083D+01
                36            37            38            39            40 
      1  -0.201553D+01  0.102237D+02  0.171002D+01  0.740438D+00 -0.930740D-01
      2  -0.277083D+01  0.171002D+01 -0.224570D+01  0.883381D+00 -0.263083D+01
      3  -0.461050D+01  0.740438D+00  0.883381D+00 -0.241083D+01  0.174655D+01
                41            42            43            44            45 
      1  -0.263083D+01  0.174655D+01  0.592195D+01  0.216529D+01 -0.379365D+01
      2   0.221096D+01 -0.292072D+01  0.216529D+01 -0.179795D+01 -0.335371D+01
      3  -0.292072D+01 -0.337906D+01 -0.379365D+01 -0.335371D+01  0.610433D-01
                46            47            48            49            50 
      1  -0.170175D+02 -0.265966D+01  0.182158D+00 -0.332116D+01  0.105585D+01
      2  -0.265966D+01 -0.294722D+01  0.499231D-01  0.105585D+01 -0.333689D-01
      3   0.182158D+00  0.499231D-01 -0.209610D+01  0.131016D+01 -0.334574D+00
                51            52            53            54            55 
      1   0.131016D+01 -0.667088D+00  0.121324D+01 -0.363476D+01  0.745888D-01
      2  -0.334574D+00  0.121324D+01 -0.436362D+00 -0.702328D+00 -0.117250D+01
      3  -0.293640D+00 -0.363476D+01 -0.702328D+00 -0.118410D+01  0.275638D+00
                56            57            58            59            60 
      1  -0.117250D+01  0.275638D+00 -0.182946D+01  0.649708D+00 -0.141677D+00
      2   0.152231D+01 -0.684963D+00  0.649708D+00 -0.613018D+01  0.236940D+01
      3  -0.684963D+00  0.101748D+01 -0.141677D+00  0.236940D+01 -0.186877D+01
                61            62            63            64            65 
      1   0.134600D+00 -0.348299D+00  0.396968D+00 -0.144740D+02 -0.226323D+01
      2  -0.348299D+00  0.170872D+01 -0.130699D+01 -0.226323D+01 -0.132428D+01
      3   0.396968D+00 -0.130699D+01  0.165423D+01  0.111612D+01  0.322921D+00
                66            67            68            69            70 
      1   0.111612D+01 -0.160977D+01 -0.152893D+01  0.127692D-01 -0.152341D+01
      2   0.322921D+00 -0.152893D+01 -0.101279D+01  0.447899D+00 -0.321821D+00
      3  -0.141591D+01  0.127692D-01  0.447899D+00  0.184001D-01 -0.100464D+01
                71            72            73            74            75 
      1  -0.321821D+00 -0.100464D+01 -0.437689D+00  0.479631D+00  0.580783D+00
      2  -0.132402D+00  0.825974D-01  0.479631D+00  0.496276D+00  0.989166D-02
      3   0.825974D-01 -0.117958D+00  0.580783D+00  0.989166D-02  0.100871D+01
                76            77            78            79            80 
      1   0.143609D+01  0.176362D+00 -0.633422D+00  0.924349D+00 -0.170733D+00
      2   0.176362D+00  0.209800D+01  0.203175D+01 -0.170733D+00  0.185111D+01
      3  -0.633422D+00  0.203175D+01  0.329913D+01 -0.210130D+00  0.178493D+01
                81            82            83            84            85 
      1  -0.210130D+00  0.345994D+01 -0.828830D+00  0.157989D+00  0.785159D+01
      2   0.178493D+01 -0.828830D+00 -0.326263D+01 -0.714527D+00  0.342135D+00
      3   0.508045D+01  0.157989D+00 -0.714527D+00 -0.219180D+01  0.216727D+00
                86            87            88            89            90 
      1   0.342135D+00  0.216727D+00  0.281133D+01 -0.191492D+00 -0.188999D+01
      2   0.176172D+01 -0.749350D+00 -0.191492D+00 -0.180529D+01  0.300435D+01
      3  -0.749350D+00  0.169289D+01 -0.188999D+01  0.300435D+01  0.117655D+01
                91            92            93            94            95 
      1  -0.338513D+01 -0.362658D+00 -0.265912D+00  0.487630D+01  0.165294D+00
      2  -0.362658D+00  0.280433D+01 -0.338881D+00  0.165294D+00  0.119796D+01
      3  -0.265912D+00 -0.338881D+00  0.889154D+00 -0.487057D+00 -0.122067D+01
                96            97            98            99           100 
      1  -0.487057D+00  0.540560D+00 -0.103281D+01  0.193371D+01  0.523132D+01
      2  -0.122067D+01 -0.103281D+01 -0.142821D+01  0.343105D+01  0.414525D+00
      3   0.216030D+01  0.193371D+01  0.343105D+01  0.296812D+01 -0.689774D+00
               101           102           103           104           105 
      1   0.414525D+00 -0.689774D+00  0.115128D+01 -0.248643D+00 -0.136736D+01
      2   0.331665D+01 -0.437831D-01 -0.248643D+00  0.386838D+00 -0.649250D+00
      3  -0.437831D-01  0.329764D+01 -0.136736D+01 -0.649250D+00 -0.696979D-01
               106           107           108           109           110 
      1  -0.716604D-01 -0.132510D+01  0.508239D+01 -0.242929D+01 -0.674045D+00
      2  -0.132510D+01  0.304550D+00  0.276827D+00 -0.674045D+00  0.238874D+01
      3   0.508239D+01  0.276827D+00  0.124287D+01 -0.521314D+00  0.893539D+00
               111           112           113           114           115 
      1  -0.521314D+00 -0.550029D+01 -0.826344D+00 -0.100549D+01 -0.188056D+01
      2   0.893539D+00 -0.826344D+00 -0.122468D+01  0.146642D+01 -0.670366D+00
      3   0.210088D+01 -0.100549D+01  0.146642D+01 -0.209605D+01  0.283486D+01
               116           117           118           119           120 
      1  -0.670366D+00  0.283486D+01  0.443500D+01  0.247225D+01  0.764359D+00
      2   0.190456D+01 -0.289075D+01  0.247225D+01 -0.249659D+01 -0.249053D-01
      3  -0.289075D+01 -0.159537D+01  0.764359D+00 -0.249053D-01 -0.137936D+01
               121           122           123           124           125 
      1  -0.662418D+01 -0.794173D+00  0.378774D+00 -0.526860D+00  0.118988D+01
      2  -0.794173D+00 -0.170674D+01  0.118673D+01  0.118988D+01  0.114585D+01
      3   0.378774D+00  0.118673D+01 -0.142794D+01 -0.701157D+00 -0.291771D+01
               126           127           128           129           130 
      1  -0.701157D+00 -0.321482D+01  0.225388D+01  0.198252D+00  0.232758D+01
      2  -0.291771D+01  0.225388D+01 -0.278322D+01 -0.263147D+00 -0.284493D+01
      3  -0.302871D+01  0.198252D+00 -0.263147D+00 -0.423979D+00 -0.510358D+00
               131           132           133           134           135 
      1  -0.284493D+01 -0.510358D+00  0.608806D-01 -0.391895D+00 -0.910671D-01
      2   0.617602D+01  0.871913D+00 -0.391895D+00  0.122546D+01  0.276727D+00
      3   0.871913D+00  0.874639D+00 -0.910671D-01  0.276727D+00  0.167686D+00
               136           137           138           139           140 
      1   0.242571D+01  0.269649D+01  0.800532D+00  0.232991D+01  0.377381D+01
      2   0.269649D+01  0.294186D+01  0.796393D+00  0.377381D+01  0.897298D+01
      3   0.800532D+00  0.796393D+00  0.590499D+00  0.993143D+00  0.217130D+01
               141           142           143           144           145 
      1   0.993143D+00  0.800708D+00  0.120654D+01  0.374583D+00  0.132945D+02
      2   0.217130D+01  0.120654D+01  0.245602D+01  0.664414D+00  0.935109D+00
      3   0.136428D+01  0.374583D+00  0.664414D+00  0.393761D+00  0.125538D+01
               146           147           148           149           150 
      1   0.935109D+00  0.125538D+01  0.798012D+00  0.157000D+01  0.484090D+00
      2   0.814458D+00  0.671095D-01  0.157000D+01  0.341980D+00  0.180170D+00
      3   0.671095D-01  0.979973D+00  0.484090D+00  0.180170D+00  0.129069D+00
               151           152           153           154           155 
      1   0.131128D+01  0.479868D+00  0.978427D-01  0.452581D+01 -0.369635D+01
      2   0.479868D+00  0.120795D+00  0.149102D-01 -0.369635D+01  0.354360D+01
      3   0.978427D-01  0.149102D-01  0.149684D+00 -0.617855D+00  0.478027D+00
               156           157           158           159           160 
      1  -0.617855D+00 -0.355096D+01  0.438307D+01  0.920084D+00 -0.557811D+00
      2   0.478027D+00  0.438307D+01 -0.674884D+01 -0.122195D+01  0.742805D+00
      3   0.606639D+00  0.920084D+00 -0.122195D+01 -0.952334D+00  0.194109D+00
               161           162           163           164           165 
      1   0.742805D+00  0.194109D+00 -0.175720D+01 -0.186844D+01 -0.611742D+00
      2  -0.147660D+01 -0.350112D+00 -0.186844D+01 -0.209858D+01 -0.709892D+00
      3  -0.350112D+00 -0.224315D+00 -0.611742D+00 -0.709892D+00 -0.473005D+00
               166           167           168           169           170 
      1  -0.157595D+01 -0.220316D+01 -0.629678D+00 -0.816802D+00 -0.914295D+00
      2  -0.220316D+01 -0.770944D+01 -0.215475D+01 -0.914295D+00 -0.236475D+01
      3  -0.629678D+00 -0.215475D+01 -0.141639D+01 -0.227756D+00 -0.810778D+00
               171 
      1  -0.227756D+00
      2  -0.810778D+00
      3  -0.544520D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.320958D+00  0.736735D+00  0.975363D+00  0.140456D+00 -0.383927D+01
      2   0.593732D+01 -0.842829D+00  0.184233D+01  0.304262D+00  0.344074D+01
      3   0.142030D+02 -0.453403D+01  0.162711D+01  0.182069D+01  0.108582D+02
                 6             7             8             9            10 
      1  -0.421219D+01 -0.222690D+01  0.378803D+01  0.494524D+00 -0.142308D+01
      2  -0.268069D+01 -0.284923D+01 -0.809199D+00  0.305670D+01  0.267459D+01
      3  -0.533554D+01  0.488203D+00 -0.182274D+01  0.323092D+01  0.165747D+01
                11            12            13            14            15 
      1  -0.377626D+00  0.207423D+00  0.887088D+00  0.252301D+01  0.940213D+00
      2   0.155763D+01 -0.240759D+01  0.307440D+01 -0.607833D+01 -0.699990D+01
      3   0.148771D+01 -0.250505D+00  0.118268D+02 -0.212266D+01  0.838198D+01
                16            17            18            19            20 
      1   0.463398D+01  0.485696D+01 -0.148963D+01 -0.634196D+00  0.777611D+00
      2  -0.154813D+02 -0.928295D+01 -0.305244D+00 -0.619485D+01  0.362558D+00
      3  -0.990900D+00  0.675983D+01  0.620597D+01 -0.867005D+01 -0.364484D+01
                21            22            23            24            25 
      1   0.705473D+00  0.403099D+00 -0.107395D+00 -0.497694D+00  0.552133D+00
      2   0.435248D+01 -0.953885D-01 -0.879935D+00  0.101605D+00  0.130759D+01
      3   0.117048D+00 -0.113234D+01  0.218121D+00  0.407860D+00  0.330911D+00
                26            27            28            29            30 
      1   0.963850D-01 -0.335417D+00 -0.793805D+00  0.147165D+00 -0.107415D+01
      2  -0.415114D+00  0.425266D-01  0.167712D+01  0.387380D+00  0.256583D+01
      3   0.387227D+00 -0.279004D+00 -0.293783D+01 -0.272513D+01 -0.185504D+00
                31            32            33            34            35 
      1  -0.193230D+00  0.142301D+01 -0.247401D+01 -0.124377D+01  0.127386D+01
      2  -0.538782D+00  0.455670D+01  0.577871D+01  0.361500D+00  0.429590D+01
      3   0.476031D+00 -0.777044D+01 -0.554577D+01  0.657921D+00 -0.521214D+01
                36            37            38            39            40 
      1  -0.256454D+01  0.373512D+01 -0.332952D+01 -0.165377D+01 -0.630749D-01
      2   0.752132D+01 -0.136458D+02 -0.483796D+01  0.927773D+01 -0.657140D+01
      3  -0.482258D+01 -0.360482D+01 -0.114145D+02  0.104358D+01 -0.471809D+01
                41            42            43            44            45 
      1   0.203766D+01 -0.107484D+02 -0.172490D+01 -0.517819D+01 -0.325924D+01
      2   0.105685D+02  0.703157D+01  0.580806D+01  0.760181D+01  0.368142D+01
      3   0.107814D+02 -0.111281D+02  0.164822D+01 -0.982360D+01 -0.609706D+01
                46            47            48            49            50 
      1  -0.398037D+00 -0.213736D+00 -0.274674D+00 -0.243041D+01 -0.369183D+01
      2  -0.282779D+01 -0.120658D+01 -0.115877D+01 -0.113729D+01  0.754381D+00
      3  -0.313893D+01  0.528891D+01  0.100575D+01  0.145790D+02  0.147534D+01
                51            52            53            54            55 
      1   0.143609D+01 -0.741717D-01  0.955419D+01  0.275484D+01 -0.161324D+01
      2   0.113694D+01 -0.130611D+02  0.654450D+00  0.333189D+00 -0.211107D+01
      3  -0.135350D+01  0.456177D+00  0.655048D+00 -0.374371D+00 -0.502819D+01
                56            57            58            59            60 
      1   0.208095D+01  0.102505D+01  0.138707D+01 -0.602604D+01 -0.836215D+00
      2   0.269511D+01 -0.204970D+01  0.327619D+01 -0.730076D+01  0.438895D+01
      3   0.519811D+01 -0.165751D+01  0.690912D+01 -0.164395D+02  0.631943D+01
                61            62            63            64            65 
      1   0.416099D+00  0.231040D+01  0.314688D+00 -0.800390D+00 -0.148722D+01
      2  -0.247252D+01  0.334160D+01 -0.394644D+01  0.104328D+02  0.101192D+01
      3  -0.998521D+00  0.465040D+01 -0.390385D+01  0.637670D+01 -0.549492D+01
                66            67            68            69            70 
      1  -0.159031D+01 -0.140738D+01 -0.668293D+00 -0.171857D+00 -0.124508D+01
      2   0.671622D+01  0.166279D+01 -0.229842D+00  0.312992D+00  0.186266D+01
      3   0.209188D+00 -0.147540D+01 -0.215456D+01  0.141282D+01 -0.899444D-01
                71            72            73            74            75 
      1   0.107692D+01 -0.478796D-02  0.148113D+01  0.147883D+01  0.647254D+00
      2  -0.296708D+00  0.870571D+00 -0.200862D+01 -0.957930D+00 -0.256189D+01
      3   0.651330D+00  0.147022D+01  0.203484D+01  0.105806D+01 -0.840381D-01
                76            77            78            79            80 
      1   0.544116D+00  0.570002D+01  0.399685D+01 -0.153084D+00  0.626587D+01
      2  -0.143983D+01 -0.599113D+01 -0.813401D+01 -0.293970D+01 -0.498693D+01
      3   0.177629D+01  0.576256D+01  0.587954D+01 -0.535901D+00  0.531869D+01
                81            82            83            84            85 
      1   0.664353D+01 -0.508695D+00  0.685876D-01  0.323931D+01 -0.884288D+00
      2  -0.124870D+02  0.240314D+01  0.461051D+00 -0.156941D+01  0.381245D+01
      3   0.539723D+01  0.258345D+01 -0.504019D+00  0.110972D+01  0.563544D+01
                86            87            88            89            90 
      1   0.366146D+00 -0.256677D+01  0.621586D+01  0.306044D+01  0.383980D-01
      2   0.103915D+01  0.490502D+00 -0.115806D+02 -0.366072D+00 -0.187827D+00
      3  -0.607669D+01  0.885875D+00 -0.501863D+00 -0.428173D+00 -0.509134D+01
                91            92            93            94            95 
      1   0.735903D+00  0.736538D+00 -0.191860D+01  0.152950D+01  0.648121D-01
      2  -0.426564D+00  0.252539D+01  0.182968D+00  0.117288D+01 -0.360517D+01
      3  -0.246837D+00 -0.108249D+02 -0.265475D+01  0.460685D+01 -0.161011D+01
                96            97            98            99           100 
      1  -0.374106D+01 -0.477182D+01  0.148836D+01 -0.160804D+01  0.278647D+00
      2   0.588674D+01 -0.770708D+01  0.826873D+01  0.493400D+01 -0.166808D+00
      3   0.217338D+01 -0.680110D-01  0.260789D+01 -0.412970D+01 -0.946355D+00
               101           102           103           104           105 
      1  -0.649300D+00 -0.123923D+01 -0.111654D+01 -0.332407D+01  0.296758D+01
      2  -0.564813D+00  0.927247D+01 -0.470582D+01 -0.208810D+00  0.343175D+00
      3  -0.791531D+01  0.464638D+00  0.102312D+02  0.515889D+00  0.173174D+01
               106           107           108           109           110 
      1  -0.172416D+01  0.103993D+02  0.314570D+01 -0.727941D+00 -0.103155D+01
      2   0.705787D+01  0.136729D+01  0.303307D+01 -0.105442D+01  0.224431D+01
      3   0.428017D+01  0.121225D+01  0.444469D+00  0.773901D+00 -0.112256D+02
               111           112           113           114           115 
      1   0.321332D+01 -0.166946D+01  0.233003D+00 -0.272802D+01  0.645680D+01
      2   0.265821D+01 -0.106915D+01  0.382902D+01 -0.638341D+01 -0.423379D+01
      3  -0.238164D+01  0.633338D+01  0.932870D+00 -0.268553D+01 -0.963534D-01
               116           117           118           119           120 
      1   0.329448D+01  0.138852D+01 -0.981207D-01  0.186793D+01 -0.255066D+01
      2  -0.909794D+01 -0.471208D+01  0.397252D+01  0.199163D+01 -0.134796D+01
      3  -0.430111D+01  0.327629D+01 -0.185769D+01 -0.216276D+01 -0.260034D+01
               121           122           123           124           125 
      1   0.141357D+01  0.601240D+00 -0.308138D+01 -0.483367D+01  0.160740D+01
      2   0.136381D+01 -0.785934D+00 -0.121175D+01 -0.129834D+02 -0.111401D+01
      3   0.279109D+01  0.639041D+01 -0.556930D-01 -0.355629D+01 -0.918681D+00
               126           127           128           129           130 
      1  -0.732824D+00  0.362872D+00 -0.812297D+00  0.194363D+01  0.219957D+00
      2  -0.308493D+01  0.168398D+01 -0.813158D+00  0.448845D+00 -0.668342D+00
      3   0.477728D+01 -0.884396D+01  0.362559D+01  0.251434D+00  0.670519D+01
               131           132           133           134           135 
      1  -0.107733D+00 -0.324447D+01 -0.202402D+00  0.182872D+01  0.379300D-01
      2   0.120249D+01 -0.941431D+00 -0.163445D+01  0.616491D+00 -0.210782D+00
      3  -0.535141D+01 -0.122795D+01 -0.211507D+00 -0.705409D+00 -0.294963D+00
               136           137           138           139           140 
      1  -0.229005D+00  0.669676D-01 -0.180378D+01 -0.210931D+00  0.534913D+00
      2   0.427349D+00  0.754890D+00  0.182286D+01  0.687641D+00  0.322754D+01
      3  -0.777316D+00 -0.265365D+01 -0.521129D+00 -0.140517D+01 -0.130740D+02
               141           142           143           144           145 
      1  -0.424542D+01  0.604594D+00  0.216754D+01 -0.575933D+00 -0.130534D+00
      2   0.353179D+01 -0.560902D+00  0.291883D+00  0.792976D+00  0.173404D+01
      3  -0.284426D+01 -0.625753D+00 -0.351903D+01 -0.839742D+00 -0.285214D+00
               146           147           148           149           150 
      1   0.441627D+00 -0.447899D+00  0.864296D-01 -0.219602D-01 -0.367305D+00
      2  -0.292806D-01  0.619258D+01  0.185187D+01  0.419208D+00  0.734275D+00
      3  -0.528566D+01  0.117857D+00 -0.360018D+01 -0.851571D+00 -0.419324D+00
               151           152           153           154           155 
      1   0.283084D+00  0.636549D+00  0.430580D-01  0.288646D+00 -0.776147D+00
      2  -0.287163D+01 -0.118614D+00  0.487055D+00  0.191599D+00 -0.173763D+00
      3  -0.153848D+01 -0.794104D+00 -0.171266D+00  0.155192D+01 -0.484440D+01
               156           157           158           159           160 
      1   0.215450D+01  0.325378D+00  0.192985D+00 -0.342125D+01 -0.919995D+00
      2   0.260385D+01  0.833124D+00 -0.160805D+01 -0.339359D+01 -0.779125D+00
      3  -0.214887D+00 -0.318213D+01  0.110839D+02  0.152282D+01 -0.119027D+01
               161           162           163           164           165 
      1   0.173376D+01 -0.371230D+00  0.153776D+00  0.274445D+00 -0.155825D+01
      2   0.365189D+00 -0.494060D+00 -0.200973D+01 -0.133127D+01  0.283039D-01
      3   0.269872D+01  0.522719D+00  0.654655D+01  0.377666D+01  0.135407D+01
               166           167           168           169           170 
      1   0.349867D+00  0.875499D+00 -0.387401D+01  0.566752D+00  0.253367D+01
      2  -0.181343D+01 -0.234980D+01  0.752419D-02 -0.229855D+01 -0.921809D+00
      3   0.687782D+01  0.803830D+01  0.257290D+01  0.254219D+01  0.258360D+01
               171 
      1  -0.669647D+00
      2  -0.171403D-01
      3   0.678786D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.336692D+02  0.133690D+01  0.835399D+00 -0.733521D+01 -0.511678D+01
      2   0.186383D+02 -0.265841D+01 -0.159179D+01  0.135784D+01  0.127774D+02
      3   0.150308D+02  0.132151D+01  0.756387D+00  0.597737D+01 -0.766065D+01
      4   0.436657D+01  0.557228D+01 -0.226903D+01  0.189724D+02 -0.208550D+02
      5  -0.511927D+01 -0.235280D+01  0.618363D+01 -0.953189D+01  0.117054D+02
      6  -0.228495D+01 -0.120516D+00 -0.238024D+01  0.441028D+01 -0.646823D+01
                 6             7             8             9            10 
      1   0.792956D+00  0.133526D+01  0.262366D+01 -0.341127D+01  0.107047D+02
      2   0.126814D+01 -0.129996D+01 -0.171079D+01 -0.435158D+01 -0.340986D+01
      3  -0.206110D+01 -0.353041D-01 -0.912871D+00  0.776285D+01 -0.729482D+01
      4   0.122331D+02 -0.690164D+01  0.467645D+01 -0.622295D+01 -0.331076D+01
      5  -0.587702D+01  0.119110D+02 -0.673492D+01  0.890122D+01  0.573680D+01
      6   0.118318D+02 -0.184636D+01  0.778511D+01 -0.660694D+01  0.185176D+01
                11            12            13            14            15 
      1   0.203046D+01 -0.159253D+01  0.350860D+01 -0.150535D+01  0.628690D+01
      2   0.398514D+00 -0.969302D+00  0.226313D+01  0.719187D+00 -0.986502D+01
      3  -0.242898D+01  0.256183D+01 -0.577173D+01  0.786167D+00  0.357812D+01
      4  -0.121459D+02  0.358322D+01 -0.225668D+02 -0.524328D+01 -0.177047D+02
      5   0.413844D+01 -0.150400D+02  0.115673D+02 -0.168442D+02 -0.171915D+02
      6   0.908327D+00 -0.224812D+01 -0.500927D+01 -0.608166D+01 -0.146244D+02
                16            17            18            19            20 
      1   0.118864D+02  0.705948D+01 -0.173531D+01  0.608170D+02 -0.862339D+01
      2  -0.936975D+01 -0.306720D+01  0.481173D+01 -0.318059D+02  0.346152D+01
      3  -0.251668D+01 -0.399228D+01 -0.307642D+01 -0.290112D+02  0.516186D+01
      4   0.124277D+02 -0.929392D+01 -0.206979D+02 -0.215572D+02  0.105828D+02
      5  -0.272159D+02 -0.191057D+02 -0.295320D+00  0.135882D+02 -0.292894D+01
      6  -0.114229D+02 -0.119756D+02 -0.791219D+00 -0.188826D+01  0.129550D+01
                21            22            23            24            25 
      1   0.371660D+01  0.624597D+00  0.367847D+01  0.236123D-01 -0.116773D+01
      2  -0.294510D+01 -0.175136D+01 -0.812478D+00 -0.822025D-01 -0.641482D-01
      3  -0.771493D+00  0.112676D+01 -0.286599D+01  0.585902D-01  0.123187D+01
      4  -0.241869D+01  0.721531D+01 -0.321140D+01  0.243319D+00  0.117995D+01
      5   0.783442D+01  0.398678D+00  0.713066D+00 -0.368850D+00  0.614154D+01
      6  -0.166643D+01  0.133051D+01  0.140325D-01  0.132715D+01 -0.116497D+01
                26            27            28            29            30 
      1   0.624227D+00  0.314888D+01  0.286642D+01  0.235777D+01  0.331987D+01
      2   0.237362D+00 -0.259486D+01 -0.192598D+01 -0.104260D+01 -0.187035D+01
      3  -0.861589D+00 -0.554018D+00 -0.940435D+00 -0.131517D+01 -0.144953D+01
      4  -0.433136D+00 -0.174191D+01  0.789158D+01  0.896010D+01  0.418084D+01
      5  -0.146485D+01  0.229383D+01  0.706513D+01  0.411555D+01  0.102937D+02
      6   0.875513D+00 -0.173664D+00  0.500076D+01  0.189486D+01  0.275461D+01
                31            32            33            34            35 
      1   0.219580D+01 -0.701314D+01 -0.565064D+01  0.142067D+01 -0.603324D+01
      2  -0.851493D+00  0.733739D+01  0.376459D+01 -0.207656D+01  0.130932D+01
      3  -0.134431D+01 -0.324257D+00  0.188605D+01  0.655893D+00  0.472392D+01
      4   0.114328D+02  0.190103D+02  0.121396D+02  0.532885D+01  0.117114D+02
      5   0.555043D+01  0.116123D+02  0.136856D+02  0.132523D+02  0.120409D+02
      6   0.439475D+01  0.132239D+02  0.127689D+02  0.562567D+01  0.123299D+02
                36            37            38            39            40 
      1  -0.845296D+01 -0.633089D+02 -0.172890D+02  0.565650D+01 -0.147535D+02
      2  -0.364125D+01  0.255484D+02  0.127125D+02  0.106980D+01  0.823343D+01
      3   0.120942D+02  0.377606D+02  0.457647D+01 -0.672630D+01  0.652007D+01
      4   0.128592D+02 -0.216649D+02  0.846755D+01 -0.302959D+01  0.109831D+02
      5   0.193591D+02  0.789113D+01 -0.360468D+00  0.124969D+02 -0.602318D+01
      6   0.141928D+02  0.119393D+01 -0.761816D+01  0.476295D+01 -0.584543D+01
                41            42            43            44            45 
      1   0.225173D+02 -0.211780D+01 -0.581283D+01 -0.317189D+01  0.114224D+02
      2  -0.140088D+02  0.157937D+02  0.861133D+01  0.128945D+02 -0.419230D+01
      3  -0.850858D+01 -0.136759D+02 -0.279850D+01 -0.972262D+01 -0.723006D+01
      4  -0.542748D+01  0.125145D+02 -0.125208D+02  0.828184D+01  0.198958D+02
      5   0.782671D+01  0.164737D+02  0.233741D+02  0.177204D+02 -0.523155D+01
      6   0.741798D+01 -0.469246D+01  0.962052D+01 -0.841102D+00 -0.103524D+02
                46            47            48            49            50 
      1  -0.179393D+02 -0.802389D+00 -0.233525D+01  0.321272D+01 -0.820701D+01
      2   0.606185D+01  0.169034D+00 -0.272209D+00 -0.437273D+01  0.126958D+02
      3   0.118775D+02  0.633356D+00  0.260745D+01  0.116001D+01 -0.448881D+01
      4   0.980195D+01  0.455380D+01  0.804585D-01 -0.925098D+01 -0.363110D+01
      5  -0.715357D+01 -0.607197D+00 -0.260497D-01 -0.509939D+01  0.115759D+01
      6  -0.282105D+01  0.844391D+00  0.692591D+00 -0.258608D+01  0.532580D+01
                51            52            53            54            55 
      1  -0.920999D+00 -0.781275D+01 -0.219927D+01 -0.904996D+01 -0.956834D+00
      2   0.674468D+01  0.220433D+00  0.348584D+01 -0.239531D+01  0.308698D+01
      3  -0.582368D+01  0.759232D+01 -0.128656D+01  0.114453D+02 -0.213014D+01
      4   0.673996D+00 -0.581405D+01  0.204241D+00  0.277374D+01  0.230185D+01
      5   0.191734D+01  0.493644D+01  0.230883D+01 -0.454251D+00  0.657610D+00
      6  -0.164092D+01 -0.478080D+00  0.749852D+01 -0.293647D+01 -0.324201D+01
                56            57            58            59            60 
      1   0.102721D+02 -0.521276D+01  0.104498D+02 -0.240739D+02  0.973244D+01
      2  -0.875306D+01  0.163290D+01 -0.693190D+01  0.271428D+02 -0.674238D+01
      3  -0.151903D+01  0.357986D+01 -0.351787D+01 -0.306888D+01 -0.299006D+01
      4  -0.201321D+01  0.942372D+00  0.302036D+01  0.227367D+02 -0.907485D+01
      5  -0.820477D+00 -0.186308D+01 -0.381114D+01 -0.630192D+01  0.597573D+01
      6   0.541725D+01 -0.401377D+01  0.197606D+01 -0.189750D+02  0.120657D+02
                61            62            63            64            65 
      1  -0.223321D+01  0.764314D+01 -0.958527D+01  0.891518D+02  0.109253D+02
      2   0.517865D+00 -0.446877D+01  0.329250D+01 -0.433225D+02 -0.321502D+01
      3   0.171534D+01 -0.317437D+01  0.629277D+01 -0.458293D+02 -0.771028D+01
      4   0.701345D+00 -0.626682D+01  0.362761D+01  0.293366D+02  0.153737D+02
      5   0.973400D+00  0.347114D+01 -0.461143D+01 -0.232194D+02 -0.416949D+01
      6  -0.202105D+01  0.107472D+02 -0.679945D+01 -0.377713D+01 -0.286066D+01
                66            67            68            69            70 
      1  -0.260525D+01  0.714185D+01  0.585662D+01  0.345581D+00  0.724238D+01
      2   0.427148D+01 -0.107248D+01 -0.901443D+00 -0.107210D+01 -0.117708D+01
      3  -0.166623D+01 -0.606938D+01 -0.495518D+01  0.726521D+00 -0.606530D+01
      4  -0.250519D+01  0.153335D+02  0.795258D+01 -0.233724D+01  0.255656D+01
      5   0.134196D+02 -0.197979D+01 -0.331944D+01  0.609589D+00  0.983434D+01
      6   0.319913D+01 -0.223890D+01 -0.216617D+01  0.253266D+01  0.251412D+01
                71            72            73            74            75 
      1   0.814899D+00  0.620586D+01  0.374416D+01 -0.112433D+01 -0.611026D+01
      2  -0.666943D+00 -0.453636D+01 -0.367735D+01 -0.113824D+00  0.460474D+00
      3  -0.147956D+00 -0.166950D+01 -0.668092D-01  0.123815D+01  0.564978D+01
      4   0.748975D+00  0.108201D+01 -0.743183D+00 -0.132546D+01 -0.235648D-01
      5   0.197842D+00 -0.662580D+00 -0.268438D+01  0.156164D+01 -0.619441D-01
      6   0.169895D+01  0.521489D+00  0.169622D+01  0.187953D+01 -0.370341D+00
                76            77            78            79            80 
      1  -0.442030D+01 -0.711177D+01 -0.560508D+01 -0.488729D+01 -0.401198D+01
      2   0.299419D+01 -0.509191D+00 -0.763991D+01  0.314637D+01 -0.633020D+01
      3   0.142612D+01  0.762096D+01  0.132450D+02  0.174092D+01  0.103422D+02
      4   0.355746D+00 -0.110036D+02 -0.100957D+02  0.289497D+00 -0.941539D+01
      5   0.618004D+01 -0.810515D+01 -0.145769D+02  0.583992D+01 -0.761630D+01
      6   0.266445D+00  0.715145D+01  0.719897D+01 -0.291242D+00  0.676295D+01
                81            82            83            84            85 
      1  -0.140219D+02  0.135466D+01  0.175841D+02  0.583103D+01 -0.551531D+01
      2  -0.125579D+02 -0.359470D+01 -0.121452D+02 -0.525140D+00  0.126550D+02
      3   0.265798D+02  0.224004D+01 -0.543887D+01 -0.530589D+01 -0.713967D+01
      4  -0.971942D+01  0.935749D+01 -0.115519D+02 -0.129126D+00  0.244592D+01
      5  -0.205460D+02  0.416774D+01 -0.696388D+00 -0.211563D+01  0.314395D+01
      6   0.504348D+01  0.277852D+01 -0.214710D+01 -0.616440D+01  0.771394D+01
                86            87            88            89            90 
      1   0.156791D+01  0.444872D+01 -0.152102D+01  0.685205D+01 -0.136508D+02
      2  -0.474262D+01 -0.369048D+01  0.630183D+01 -0.894962D+01  0.142238D+01
      3   0.317471D+01 -0.758243D+00 -0.478081D+01  0.209757D+01  0.122285D+02
      4   0.148712D+02  0.279671D+01  0.264110D+01  0.484121D+00  0.370061D+01
      5   0.246337D+01  0.222988D+00  0.445857D+01  0.284909D+01 -0.123736D+01
      6  -0.585275D+01  0.548928D+01 -0.182176D+01  0.117007D+02 -0.115353D+00
                91            92            93            94            95 
      1   0.816421D+01 -0.223759D+02 -0.317732D+01  0.216918D+02  0.116234D+02
      2  -0.601590D+01  0.148721D+02  0.973327D+00 -0.201673D+02 -0.146544D+02
      3  -0.214831D+01  0.750378D+01  0.220400D+01 -0.152451D+01  0.303106D+01
      4  -0.137917D+02 -0.646629D+01 -0.465349D+01  0.980512D+01 -0.321463D+01
      5  -0.645589D+01 -0.303967D+01 -0.277529D+01  0.254915D-01 -0.808358D+01
      6  -0.539325D+01 -0.172616D+01  0.398895D+01 -0.609701D+01 -0.124791D+02
                96            97            98            99           100 
      1   0.317650D+01  0.462665D+01 -0.979312D+00 -0.544398D+01 -0.149279D+02
      2  -0.793720D+01 -0.845346D+01 -0.829839D+01 -0.655753D+01  0.852749D+01
      3   0.476070D+01  0.382681D+01  0.927770D+01  0.120015D+02  0.640042D+01
      4  -0.756368D+01 -0.503757D+01 -0.117306D+02  0.117349D+02 -0.224011D+01
      5   0.118872D+02  0.124793D+02  0.123494D+02  0.100159D+02 -0.684377D+01
      6   0.541881D+01  0.434640D+01  0.125185D+02  0.353456D+01  0.399467D+00
               101           102           103           104           105 
      1  -0.238989D+01 -0.737944D+01  0.794258D+01 -0.206336D+02 -0.837583D+01
      2   0.184249D+01  0.317035D+01 -0.615724D+01  0.185338D+02  0.119235D+02
      3   0.547395D+00  0.420909D+01 -0.178534D+01  0.209983D+01 -0.354769D+01
      4   0.232881D+02 -0.176078D+00 -0.195941D+02 -0.537038D+01 -0.459364D+01
      5  -0.443804D+00  0.203333D+02 -0.139915D+02 -0.189987D+01  0.810018D+00
      6   0.412055D+00  0.231801D+01 -0.356249D+01  0.516612D+01 -0.465652D+01
               106           107           108           109           110 
      1  -0.605192D+01 -0.895699D+01  0.114963D+02  0.101047D+01  0.237398D+02
      2   0.969333D+00  0.663092D+01 -0.151897D+02 -0.385180D+01 -0.146001D+02
      3   0.508259D+01  0.232607D+01  0.369346D+01  0.284133D+01 -0.913973D+01
      4  -0.143095D+02 -0.597400D+00  0.198105D+00  0.188768D+02  0.279711D+01
      5   0.330960D+02  0.186645D+01  0.636245D+01 -0.212816D-01  0.194382D+01
      6   0.597047D+00  0.707792D+01 -0.475172D+01  0.179812D+01 -0.195242D+01
               111           112           113           114           115 
      1   0.647125D+01 -0.251047D+02  0.469352D+01  0.183415D+01 -0.893221D+01
      2   0.670941D+00  0.248974D+02 -0.842512D+01 -0.204526D+01  0.109039D+02
      3  -0.714220D+01  0.207254D+00  0.373160D+01  0.211115D+00 -0.197167D+01
      4   0.389714D+01  0.420670D+01  0.108247D+02  0.111352D+02 -0.194768D+00
      5   0.570183D+01 -0.506285D+01  0.943425D+01 -0.126849D+02  0.184761D+02
      6  -0.687995D+01  0.852427D+01 -0.766345D+01  0.571445D+01 -0.537680D+01
               116           117           118           119           120 
      1   0.590682D+01  0.216972D+01  0.971192D+01 -0.131516D+02 -0.894211D-01
      2  -0.984536D+01 -0.880004D+01 -0.719637D+01  0.103664D+02 -0.174170D+01
      3   0.393853D+01  0.663032D+01 -0.251556D+01  0.278520D+01  0.183112D+01
      4   0.979200D+01 -0.122387D+02 -0.109430D+02 -0.184254D+02 -0.448425D+01
      5  -0.129378D+02 -0.980393D+01  0.134812D+01 -0.333654D+01 -0.542688D+01
      6   0.114889D+02 -0.643418D+00 -0.314377D+01 -0.261919D+01  0.498957D+01
               121           122           123           124           125 
      1   0.249490D+01  0.874889D+01  0.573365D+01  0.270201D+01  0.371875D+01
      2  -0.920778D+01 -0.112078D+02 -0.811365D+01 -0.521313D+01 -0.103784D+02
      3   0.671288D+01  0.245895D+01  0.238000D+01  0.251112D+01  0.665969D+01
      4   0.121929D+02 -0.127624D+02 -0.202341D+01 -0.490874D+00 -0.408357D+01
      5  -0.551658D+00 -0.251997D+01 -0.141863D+01  0.151020D+01 -0.541404D+01
      6  -0.623508D+01 -0.114760D+02  0.324322D+01  0.165913D+01  0.103204D+02
               126           127           128           129           130 
      1  -0.147400D+02 -0.464978D+01  0.796028D+01  0.856685D+00  0.873255D+01
      2  -0.188248D+01  0.678313D+01 -0.109791D+02 -0.885858D+00 -0.115039D+02
      3   0.166224D+02 -0.213335D+01  0.301886D+01  0.291735D-01  0.277132D+01
      4  -0.702526D+01 -0.835959D+01  0.808409D+01  0.105132D+01  0.784869D+01
      5  -0.611071D+01 -0.678429D+00  0.114485D+01  0.133911D+01  0.135545D+01
      6   0.406919D+01  0.917427D+00 -0.112658D+01 -0.248275D+01 -0.230908D+01
               131           132           133           134           135 
      1  -0.218252D+02 -0.361769D+01  0.143120D+01 -0.401854D+01 -0.108157D+01
      2   0.294043D+02  0.294692D+01 -0.199963D+01  0.481783D+01  0.176526D+01
      3  -0.757910D+01  0.670775D+00  0.568435D+00 -0.799284D+00 -0.683689D+00
      4  -0.835063D+01 -0.954803D+00  0.103213D+01 -0.115218D+01 -0.191668D+01
      5  -0.130641D+01 -0.128698D+01  0.113861D+01 -0.804134D+00 -0.690045D+00
      6   0.490237D+01  0.533274D+01 -0.125023D+01  0.246727D+01  0.134191D+01
               136           137           138           139           140 
      1   0.628534D+01  0.505720D+01  0.124598D+01 -0.537638D+00 -0.139533D+02
      2   0.269886D+01  0.477255D+01  0.243298D+00  0.107202D+02  0.343682D+02
      3  -0.898419D+01 -0.982975D+01 -0.148928D+01 -0.101825D+02 -0.204149D+02
      4   0.195608D+02  0.236339D+02  0.596872D+01  0.246216D+02  0.458937D+02
      5   0.532042D+01  0.595993D+01  0.523465D+01  0.611731D+01  0.105186D+02
      6   0.395222D+01  0.455992D+01  0.335073D+01  0.601713D+01  0.139713D+02
               141           142           143           144           145 
      1  -0.354432D+01  0.521575D+00 -0.277564D+01 -0.178883D+01  0.100937D+03
      2   0.551844D+01  0.203767D+01  0.741704D+01  0.297840D+01 -0.571731D+02
      3  -0.197412D+01 -0.255925D+01 -0.464141D+01 -0.118957D+01 -0.437641D+02
      4   0.107179D+02  0.738212D+01  0.129959D+02  0.485791D+01  0.944078D+01
      5   0.672631D+01  0.286469D+01  0.414269D+01  0.289161D+01  0.124461D+02
      6   0.939984D+01  0.275586D+01  0.565714D+01  0.400462D+01 -0.237380D+01
               146           147           148           149           150 
      1   0.675317D+01  0.803405D+01  0.488525D+01  0.918117D+01  0.193234D+01
      2  -0.337135D+01 -0.546001D+01 -0.221559D+01 -0.424927D+01 -0.158581D+01
      3  -0.338182D+01 -0.257404D+01 -0.266966D+01 -0.493190D+01 -0.346530D+00
      4   0.898217D+01  0.523642D+00  0.147147D+02  0.291072D+01  0.148330D+01
      5   0.608572D+00  0.106628D+02  0.394021D+01  0.172040D+01  0.121862D+01
      6   0.420043D+00  0.241875D+00  0.101045D+01 -0.294339D-01  0.142142D+01
               151           152           153           154           155 
      1   0.965606D+01  0.218430D+01  0.384456D+01  0.194289D+02 -0.123161D+02
      2  -0.545765D+01 -0.115172D+01 -0.233286D+01 -0.256715D+01 -0.207509D+01
      3  -0.419841D+01 -0.103258D+01 -0.151170D+01 -0.168617D+02  0.143912D+02
      4   0.418177D+01  0.156691D+01  0.829975D+00 -0.313804D+02  0.299900D+02
      5   0.329761D+01  0.485500D+00  0.187703D+01 -0.587973D+01  0.429877D+01
      6   0.111278D+00  0.506057D+00  0.409962D+00  0.218212D+01 -0.184874D+01
               156           157           158           159           160 
      1  -0.240811D+01 -0.784768D+01  0.179748D+01  0.502200D+00 -0.446458D+00
      2   0.754550D+00 -0.700623D+01  0.185491D+02  0.120057D+01 -0.163166D+01
      3   0.165356D+01  0.148539D+02 -0.203466D+02 -0.170277D+01  0.207812D+01
      4   0.427367D+01  0.329232D+02 -0.444590D+02 -0.775946D+01  0.576363D+01
      5   0.576843D+01  0.671428D+01 -0.819261D+01 -0.623116D+01  0.265085D+01
      6  -0.309792D+01 -0.423406D+01  0.625194D+01  0.619417D+01 -0.197873D+01
               161           162           163           164           165 
      1  -0.566672D+00 -0.155150D+00 -0.530843D+01 -0.835261D+01 -0.322376D+01
      2   0.357260D+01  0.136405D+01  0.648736D+01  0.956276D+01  0.209770D+01
      3  -0.300593D+01 -0.120890D+01 -0.117893D+01 -0.121015D+01  0.112606D+01
      4  -0.797083D+01 -0.363574D+01  0.425043D+01  0.724288D+01  0.165919D+01
      5  -0.270281D+01 -0.158370D+01  0.120943D+01  0.145578D+01  0.177221D+01
      6   0.284588D+01  0.204011D+01  0.315366D+01  0.438764D+01  0.300552D+01
               166           167           168           169           170 
      1  -0.816210D+01 -0.306250D+02 -0.929105D+01 -0.287345D+01 -0.902815D+01
      2   0.970874D+01  0.387836D+02  0.824222D+01  0.311768D+01  0.101876D+02
      3  -0.154664D+01 -0.815868D+01  0.104883D+01 -0.244227D+00 -0.115949D+01
      4   0.540218D+01  0.522954D+00 -0.455120D+00  0.178453D+01  0.481978D+00
      5   0.105829D+01 -0.578527D+00  0.108796D+00  0.104318D+01  0.542118D+00
      6   0.384853D+01  0.142384D+02  0.940683D+01  0.161602D+01  0.613604D+01
               171 
      1  -0.432506D+01
      2   0.424353D+01
      3   0.815277D-01
      4   0.163866D+01
      5   0.900711D+00
      6   0.448404D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x         -0.453322D+00     -0.115223D+01     -0.384342D+01
   y         -0.449613D+00     -0.114280D+01     -0.381198D+01
   z          0.220954D+00      0.561610D+00      0.187333D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.121710D+03      0.180355D+02      0.200672D+02
   yx         0.123939D+01      0.183659D+00      0.204349D+00
   yy         0.977839D+02      0.144901D+02      0.161224D+02
   zx         0.142346D+01      0.210935D+00      0.234697D+00
   zy         0.658964D+01      0.976484D+00      0.108648D+01
   zz         0.653078D+02      0.967761D+01      0.107678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.103131D+03      0.152825D+02      0.170041D+02
   aniso      0.502908D+02      0.745233D+01      0.829183D+01
   xx         0.130062D+03      0.192732D+02      0.214444D+02
   yx         0.119391D+01      0.176919D+00      0.196849D+00
   yy         0.105600D+03      0.156484D+02      0.174111D+02
   zx         0.137496D+01      0.203748D+00      0.226700D+00
   zy         0.647155D+01      0.958985D+00      0.106702D+01
   zz         0.737316D+02      0.109259D+02      0.121567D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -4.26489402          1.77909395          1.12281617
     6         -2.27859880          0.31983221          2.22092033
     1         -5.33889901          2.38031343          2.46235911
     1         -3.05056875         -1.47594418          2.91585410
     6         -1.06817656          1.72764595          4.43270801
     6         -0.35986096         -0.26988605          0.19277802
     1          0.44991963          0.61016929          5.26663239
     1         -2.46434331          2.10973542          5.90833549
     1         -0.28050423          3.51819641          3.78126826
     6          0.02177638          1.35539963         -1.84092584
     6          1.87242550          0.83044597         -3.62921229
     6          3.36533722         -1.31826723         -3.40363381
     6          2.98882733         -2.95143712         -1.38079957
     6          1.13308299         -2.42844570          0.39972143
     1         -1.15574686          3.01408543         -2.02267171
     1          2.14509964          2.10310151         -5.20790339
     1          4.80293561         -1.72546622         -4.80049219
     1          4.12967336         -4.63962440         -1.19746686
     1          0.83268800         -3.71905054          1.96222412

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.675629D+00      0.171728D+01      0.572822D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.913450D+02      0.135359D+02      0.150608D+02
   yx        -0.173592D+02     -0.257237D+01     -0.286215D+01
   yy         0.907608D+02      0.134494D+02      0.149644D+02
   zx        -0.219993D+02     -0.325996D+01     -0.362719D+01
   zy        -0.421763D+01     -0.624989D+00     -0.695394D+00
   zz         0.102696D+03      0.152179D+02      0.169322D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.103131D+03      0.152825D+02      0.170041D+02
   aniso      0.502908D+02      0.745233D+01      0.829183D+01
   xx         0.996995D+02      0.147739D+02      0.164382D+02
   yx        -0.172691D+02     -0.255902D+01     -0.284730D+01
   yy         0.988443D+02      0.146472D+02      0.162972D+02
   zx        -0.220170D+02     -0.326258D+01     -0.363011D+01
   zy        -0.390066D+01     -0.578018D+00     -0.643132D+00
   zz         0.110850D+03      0.164263D+02      0.182768D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-12\Freq\RM11\Gen\C8H10O1\PIERPA\12-Aug-2021\0\\#P M11
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 @


 NOTHING WILL BE ATTEMPTED IF ALL POSSIBLE OBJECTIONS
 MUST FIRST BE OVERCOME.

                               -- THE GOLDEN PRINCIPLE,
                    PAUL DICKSON'S "THE OFFICIAL RULES"
 Job cpu time:       0 days  4 hours 22 minutes  4.0 seconds.
 Elapsed time:       0 days  0 hours 32 minutes 53.2 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:35:24 2021.
